methyl 2-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate

Systemtic Name: methyl 2-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate Openeye Name: methyl 2-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate CAS Name: 2-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate Traditional Name: 2-[(6-hydroxy-4-keto-2-phenethyl-2-phenyl-3H-pyran-5-yl)thio]benzoic acid methyl ester Formula: C27H24O5S MolecularWeight: 460.54146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H24O5S/c1-31-25(29)21-14-8-9-15-23(21)33-24-22(28)18-27(32-26(24)30,20-12-6-3-7-13-20)17-16-19-10-4-2-5-11-19/h2-15,30H,16-18H2,1H3