2-[4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]phenyl]ethanoic acid Openeye Name: 2-[4-(5-benzylsulfanyl-6-hydroxy-4-oxo-pyran-2-yl)phenyl]acetic acid CAS Name: 2-[4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2-pyranyl]phenyl]acetic acid IUPAC Name: 2-[4-(5-benzylsulfanyl-6-hydroxy-4-oxopyran-2-yl)phenyl]acetic acid Traditional Name: 2-[4-[5-(benzylthio)-6-hydroxy-4-keto-pyran-2-yl]phenyl]acetic acid Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=C(C=C3)CC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=C(C=C3)CC(=O)O)O

InChI

InChI=1S/C20H16O5S/c21-16-11-17(15-8-6-13(7-9-15)10-18(22)23)25-20(24)19(16)26-12-14-4-2-1-3-5-14/h1-9,11,24H,10,12H2,(H,22,23)