(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H17ClO6S MolecularWeight: 420.86338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3S(=O)(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3S(=O)(=O)C)Cl

InChI

InChI=1S/C20H17ClO6S/c1-3-12-8-17-15(10-16(12)21)13(9-19(22)27-17)11-26-20(23)14-6-4-5-7-18(14)28(2,24)25/h4-10H,3,11H2,1-2H3