7-[1-(4-nonylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[1-(4-nonylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxohexyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[2,6-dihydroxy-6-keto-1-(4-nonylphenyl)hexyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C34H44O7S MolecularWeight: 596.77396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

InChI

InChI=1S/C34H44O7S/c1-3-5-6-7-8-9-10-13-23-16-18-24(19-17-23)33(27(35)14-11-15-31(37)38)42-30-21-20-25-28(36)22-29(34(39)40)41-32(25)26(30)12-4-2/h16-22,27,33,35H,3-15H2,1-2H3,(H,37,38)(H,39,40)