(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H18O6S/c1-13(22)12-28-19-6-4-3-5-17(19)21(24)26-11-14-9-20(23)27-18-10-15(25-2)7-8-16(14)18/h3-10H,11-12H2,1-2H3