(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfanylmethyl)benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfanylmethyl)benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(methylsulfanylmethyl)benzoate CAS Name: 4-[(methylthio)methyl]benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-(methylsulfanylmethyl)benzoate Traditional Name: 4-[(methylthio)methyl]benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H16O5S MolecularWeight: 356.39234

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C19H16O5S/c1-25-11-12-2-4-13(5-3-12)19(22)23-10-14-8-18(21)24-17-9-15(20)6-7-16(14)17/h2-9,20H,10-11H2,1H3