methyl 2-methylidene-3-(phenylsulfonyl)cycloheptane-1-carboxylate

Systemtic Name: methyl 2-methylidene-3-(phenylsulfonyl)cycloheptane-1-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-2-methylene-cycloheptanecarboxylate CAS Name: 3-(benzenesulfonyl)-2-methylene-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-2-methylidenecycloheptane-1-carboxylate Traditional Name: 3-besyl-2-methylene-cycloheptanecarboxylic acid methyl ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC(C1=C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCCCC(C1=C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20O4S/c1-12-14(16(17)20-2)10-6-7-11-15(12)21(18,19)13-8-4-3-5-9-13/h3-5,8-9,14-15H,1,6-7,10-11H2,2H3