(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H18O6S/c1-12-8-17-15(10-19(21)26-18(17)9-13(12)2)11-25-20(22)14-4-6-16(7-5-14)27(3,23)24/h4-10H,11H2,1-3H3