methyl 3,5-bis(phenylsulfonyl)-1,2,6,6a-tetrahydropentalene-1-carboxylate

Systemtic Name: methyl 3,5-bis(phenylsulfonyl)-1,2,6,6a-tetrahydropentalene-1-carboxylate Openeye Name: methyl 3,5-bis(benzenesulfonyl)-1,2,6,6a-tetrahydropentalene-1-carboxylate CAS Name: 3,5-bis(benzenesulfonyl)-1,2,6,6a-tetrahydropentalene-1-carboxylic acid methyl ester IUPAC Name: methyl 3,5-bis(benzenesulfonyl)-1,2,6,6a-tetrahydropentalene-1-carboxylate Traditional Name: 3,5-dibesyl-1,2,6,6a-tetrahydropentalene-1-carboxylic acid methyl ester Formula: C22H20O6S2 MolecularWeight: 444.5206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=C2C1CC(=C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC(=C2C1CC(=C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20O6S2/c1-28-22(23)20-14-21(30(26,27)16-10-6-3-7-11-16)19-13-17(12-18(19)20)29(24,25)15-8-4-2-5-9-15/h2-11,13,18,20H,12,14H2,1H3