Liquid Crystals

Cas#: 4792-83-0        Compound CID:  78520

Formula:  C₁₆H₁₈N₂O₃        Molecular Weight: 286.333

IUPAC Name: (4-ethoxyphenyl)-(4-ethoxyphenyl)imino-oxidoazanium

SMILES: CCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCC)[O-]

InChIKey: QUICZVHSJNKDBL-UHFFFAOYSA-N

InChI: InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3

Cas#: 29170-08-9        Compound CID:  120142

Formula:  C₁₂H₈INO₂        Molecular Weight: 325.107

IUPAC Name: 1-(4-iodophenyl)-4-nitrobenzene

SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)[N+](=O)[O-]

InChIKey: YEDVRRNLTGKJSW-UHFFFAOYSA-N

InChI: InChI=1S/C12H8INO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H

Cas#: 696-62-8        Compound CID:  69676

Formula:  IC₆H₄OCH₃        Molecular Weight: 234.03

IUPAC Name: 1-iodo-4-methoxybenzene

SMILES: COC1=CC=C(C=C1)I

InChIKey: SYSZENVIJHPFNL-UHFFFAOYSA-N

InChI: InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Cas#: 104-94-9        Compound CID:  7732

Formula:  C₇H₉NO        Molecular Weight: 123.15

IUPAC Name: 4-methoxyaniline

SMILES: COC1=CC=C(C=C1)N

InChIKey: BHAAPTBBJKJZER-UHFFFAOYSA-N

InChI: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

Cas#: 61204-01-1        Compound CID:  109063

Formula:  CH₃(CH₂)₄C₆H₁₀C₆H₄CN        Molecular Weight: 255.4

IUPAC Name: 4-(4-pentylcyclohexyl)benzonitrile

SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#N

InChIKey: FURZYCFZFBYJBT-UHFFFAOYSA-N

InChI: InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3

Cas#: 38350-87-7        Compound CID:  170036

Formula:  CH₃(CH₂)₆C₆H₄CO₂H        Molecular Weight: 220.31

IUPAC Name: 4-heptylbenzoic acid

SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)O

InChIKey: VSUKEWPHURLYTK-UHFFFAOYSA-N

InChI: InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)

Cas#: 6833-47-2        Compound CID:  1490288

Formula:  C₉H₁₆O₂        Molecular Weight: 156.23

IUPAC Name: 4-ethylcyclohexane-1-carboxylic acid

SMILES: CCC1CCC(CC1)C(=O)O

InChIKey: UNROFSAOTBVBBT-UHFFFAOYSA-N

InChI: InChI=1S/C9H16O2/c1-2-7-3-5-8(6-4-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)

Cas#: 303186-19-8        Compound CID:  58402371

Formula:  C₂₁H₁₃F₇O        Molecular Weight: 414.32

IUPAC Name: 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene

SMILES: CCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F

InChIKey: ZTUBOAYBUBUTPH-UHFFFAOYSA-N

InChI: InChI=1S/C21H13F7O/c1-2-11-3-5-12(6-4-11)13-7-15(22)19(16(23)8-13)21(27,28)29-14-9-17(24)20(26)18(25)10-14/h3-10H,2H2,1H3

Cas#: 110453-78-6        Compound CID:  13548104

Formula:  C₉H₂₀O        Molecular Weight: 144.26

IUPAC Name: (6S)-6-methyloctan-1-ol

SMILES: CCC(C)CCCCCO

InChIKey: WWRGKAMABZHMCN-VIFPVBQESA-N

InChI: InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1

Cas#: 42072-39-9        Compound CID:  641003

Formula:  C₆H₁₄O        Molecular Weight: 102.18

IUPAC Name: (3S)-3-methylpentan-1-ol

SMILES: CCC(C)CCO

InChIKey: IWTBVKIGCDZRPL-LURJTMIESA-N

InChI: InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1

Cas#: 41122-71-8        Compound CID:  170468

Formula:  CH₃(CH₂)₆C₆H₄C₆H₄CN        Molecular Weight: 277.4

IUPAC Name: 4-(4-heptylphenyl)benzonitrile

SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChIKey: ZGOWXOZNUNZPAV-UHFFFAOYSA-N

InChI: InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3

Cas#: 41122-70-7        Compound CID:  38764

Formula:  CH₃(CH₂)₅C₆H₄C₆H₄CN        Molecular Weight: 263.38

IUPAC Name: 4-(4-hexylphenyl)benzonitrile

SMILES: CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChIKey: VADSDVGLFDVIMG-UHFFFAOYSA-N

InChI: InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3