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

Systemtic Name: [4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenyl] benzoate Openeye Name: [4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)phenyl] benzoate CAS Name: benzoic acid [4-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]phenyl] ester IUPAC Name: [4-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)phenyl] benzoate Traditional Name: benzoic acid [4-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]phenyl] ester Formula: C26H20O5S MolecularWeight: 444.499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C26H20O5S/c27-22-17-23(31-26(29)24(22)32-16-15-18-7-3-1-4-8-18)19-11-13-21(14-12-19)30-25(28)20-9-5-2-6-10-20/h1-14,17,29H,15-16H2