(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3S(=O)(=O)C)C

InChI

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