methyl 2-[[3-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]methyl]benzoate

Systemtic Name: methyl 2-[[3-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]methyl]benzoate Openeye Name: methyl 2-[[3-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)phenoxy]methyl]benzoate CAS Name: 2-[[3-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)phenoxy]methyl]benzoate Traditional Name: 2-[[3-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]phenoxy]methyl]benzoic acid methyl ester Formula: C28H24O6S MolecularWeight: 488.55156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1COC2=CC=CC(=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1COC2=CC=CC(=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

InChI

InChI=1S/C28H24O6S/c1-32-27(30)23-13-6-5-10-21(23)18-33-22-12-7-11-20(16-22)25-17-24(29)26(28(31)34-25)35-15-14-19-8-3-2-4-9-19/h2-13,16-17,31H,14-15,18H2,1H3