Chromatography & Spectroscopy Reagents

Cas#: 537-98-4       

Formula:  C₁₀H₁₀O₄        Molecular Weight: 194.18

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N

InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Cas#: 3599-32-4       

Formula:  C₄₃H₄₇N₂NaO₆S₂        Molecular Weight: 774.96

IUPAC Name: sodium;4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate

SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]

InChIKey: MOFVSTNWEDAEEK-UHFFFAOYSA-M

InChI: InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1