methyl 5-oxidanylidene-3-(phenylsulfonyl)-2,3,6,6a-tetrahydro-1H-pentalene-1-carboxylate

Systemtic Name: methyl 5-oxidanylidene-3-(phenylsulfonyl)-2,3,6,6a-tetrahydro-1H-pentalene-1-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-5-oxo-2,3,6,6a-tetrahydro-1H-pentalene-1-carboxylate CAS Name: 3-(benzenesulfonyl)-5-oxo-2,3,6,6a-tetrahydro-1H-pentalene-1-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-5-oxo-2,3,6,6a-tetrahydro-1H-pentalene-1-carboxylate Traditional Name: 3-besyl-5-keto-2,3,6,6a-tetrahydro-1H-pentalene-1-carboxylic acid methyl ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C2=CC(=O)CC12)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(C2=CC(=O)CC12)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16O5S/c1-21-16(18)14-9-15(13-8-10(17)7-12(13)14)22(19,20)11-5-3-2-4-6-11/h2-6,8,12,14-15H,7,9H2,1H3