dimethyl 4-cyano-6-(phenylsulfonyl)-3,3a,4,5-tetrahydro-1H-pentalene-2,2-dicarboxylate

Systemtic Name: dimethyl 4-cyano-6-(phenylsulfonyl)-3,3a,4,5-tetrahydro-1H-pentalene-2,2-dicarboxylate Openeye Name: dimethyl 6-(benzenesulfonyl)-4-cyano-3,3a,4,5-tetrahydro-1H-pentalene-2,2-dicarboxylate CAS Name: 6-(benzenesulfonyl)-4-cyano-3,3a,4,5-tetrahydro-1H-pentalene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-(benzenesulfonyl)-4-cyano-3,3a,4,5-tetrahydro-1H-pentalene-2,2-dicarboxylate Traditional Name: 6-besyl-4-cyano-3,3a,4,5-tetrahydro-1H-pentalene-2,2-dicarboxylic acid dimethyl ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)C#N)C(=O)OC

InChI

InChI=1S/C19H19NO6S/c1-25-17(21)19(18(22)26-2)9-14-12(11-20)8-16(15(14)10-19)27(23,24)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3