7-[(3E,5E)-1-(3-methylphenyl)-1-oxidanyl-pentadeca-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[(3E,5E)-1-(3-methylphenyl)-1-oxidanyl-pentadeca-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[(2E,4E)-1-[hydroxy(m-tolyl)methyl]tetradeca-2,4-dienyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[[(3E,5E)-1-hydroxy-1-(3-methylphenyl)pentadeca-3,5-dien-2-yl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(3E,5E)-1-hydroxy-1-(3-methylphenyl)pentadeca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 7-[[(2E,4E)-1-[hydroxy(m-tolyl)methyl]tetradeca-2,4-dienyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C32H38O5S MolecularWeight: 534.70612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C)O)SC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C(C1=CC=CC(=C1)C)O)SC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O

InChI

InChI=1S/C32H38O5S/c1-3-4-5-6-7-8-9-10-11-12-13-17-30(31(34)24-16-14-15-23(2)20-24)38-25-18-19-26-27(33)22-29(32(35)36)37-28(26)21-25/h11-22,30-31,34H,3-10H2,1-2H3,(H,35,36)/b12-11+,17-13+