(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H17ClO6S MolecularWeight: 420.86338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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