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

Systemtic Name: [4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]phenyl] benzoate Openeye Name: [4-(5-benzylsulfanyl-6-hydroxy-4-oxo-pyran-2-yl)phenyl] benzoate CAS Name: benzoic acid [4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2-pyranyl]phenyl] ester IUPAC Name: [4-(5-benzylsulfanyl-6-hydroxy-4-oxopyran-2-yl)phenyl] benzoate Traditional Name: benzoic acid [4-[5-(benzylthio)-6-hydroxy-4-keto-pyran-2-yl]phenyl] ester Formula: C25H18O5S MolecularWeight: 430.47242

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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)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H18O5S/c26-21-15-22(30-25(28)23(21)31-16-17-7-3-1-4-8-17)18-11-13-20(14-12-18)29-24(27)19-9-5-2-6-10-19/h1-15,28H,16H2