7-[1-(4-nonylphenyl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[1-(4-nonylphenyl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[6-hydroxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[[6-hydroxy-1-(4-nonylphenyl)-6-oxohexyl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[6-hydroxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 7-[[6-hydroxy-6-keto-1-(4-nonylphenyl)hexyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C31H38O6S MolecularWeight: 538.69482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)SC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)SC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O

InChI

InChI=1S/C31H38O6S/c1-2-3-4-5-6-7-8-11-22-14-16-23(17-15-22)29(12-9-10-13-30(33)34)38-24-18-19-25-26(32)21-28(31(35)36)37-27(25)20-24/h14-21,29H,2-13H2,1H3,(H,33,34)(H,35,36)