4-[[2-[6-oxidanyl-4-oxidanylidene-5-(1-phenylethylsulfanyl)pyran-2-yl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[6-oxidanyl-4-oxidanylidene-5-(1-phenylethylsulfanyl)pyran-2-yl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[6-hydroxy-4-oxo-5-(1-phenylethylsulfanyl)pyran-2-yl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[6-hydroxy-4-oxo-5-(1-phenylethylthio)-2-pyranyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[6-hydroxy-4-oxo-5-(1-phenylethylsulfanyl)pyran-2-yl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[6-hydroxy-4-keto-5-(1-phenylethylthio)pyran-2-yl]phenoxy]methyl]benzoic acid Formula: C27H22O6S MolecularWeight: 474.52498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=C(OC(=CC2=O)C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=C(OC(=CC2=O)C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C27H22O6S/c1-17(19-7-3-2-4-8-19)34-25-22(28)15-24(33-27(25)31)21-9-5-6-10-23(21)32-16-18-11-13-20(14-12-18)26(29)30/h2-15,17,31H,16H2,1H3,(H,29,30)