dimethyl 2-oxidanylidene-8-(phenylsulfonyl)-1,4,5,7-tetrahydroazulene-6,6-dicarboxylate

Systemtic Name: dimethyl 2-oxidanylidene-8-(phenylsulfonyl)-1,4,5,7-tetrahydroazulene-6,6-dicarboxylate Openeye Name: dimethyl 8-(benzenesulfonyl)-2-oxo-1,4,5,7-tetrahydroazulene-6,6-dicarboxylate CAS Name: 8-(benzenesulfonyl)-2-oxo-1,4,5,7-tetrahydroazulene-6,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 8-(benzenesulfonyl)-2-oxo-1,4,5,7-tetrahydroazulene-6,6-dicarboxylate Traditional Name: 8-besyl-2-keto-1,4,5,7-tetrahydroazulene-6,6-dicarboxylic acid dimethyl ester Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC2=CC(=O)CC2=C(C1)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CCC2=CC(=O)CC2=C(C1)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H20O7S/c1-26-18(22)20(19(23)27-2)9-8-13-10-14(21)11-16(13)17(12-20)28(24,25)15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3