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

Systemtic Name: 7-[1-(4-nonylphenyl)-2,7-bis(oxidanyl)-7-oxidanylidene-heptyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2,7-dihydroxy-1-(4-nonylphenyl)-7-oxo-heptyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[2,7-dihydroxy-1-(4-nonylphenyl)-7-oxoheptyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[2,7-dihydroxy-1-(4-nonylphenyl)-7-oxoheptyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[2,7-dihydroxy-7-keto-1-(4-nonylphenyl)heptyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C35H46O7S MolecularWeight: 610.80054

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H46O7S/c1-3-5-6-7-8-9-10-14-24-17-19-25(20-18-24)34(28(36)15-11-12-16-32(38)39)43-31-22-21-26-29(37)23-30(35(40)41)42-33(26)27(31)13-4-2/h17-23,28,34,36H,3-16H2,1-2H3,(H,38,39)(H,40,41)