methyl (3E)-9-oxidanylidene-6,6-bis(phenylsulfonyl)cyclodec-3-ene-1-carboxylate

Systemtic Name: methyl (3E)-9-oxidanylidene-6,6-bis(phenylsulfonyl)cyclodec-3-ene-1-carboxylate Openeye Name: methyl (3E)-6,6-bis(benzenesulfonyl)-9-oxo-cyclodec-3-ene-1-carboxylate CAS Name: (3E)-6,6-bis(benzenesulfonyl)-9-oxo-1-cyclodec-3-enecarboxylic acid methyl ester IUPAC Name: methyl (3E)-6,6-bis(benzenesulfonyl)-9-oxocyclodec-3-ene-1-carboxylate Traditional Name: (3E)-6,6-dibesyl-9-keto-cyclodec-3-ene-1-carboxylic acid methyl ester Formula: C24H26O7S2 MolecularWeight: 490.58904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC(CCC(=O)C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C/C=C/CC(CCC(=O)C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26O7S2/c1-31-23(26)19-10-8-9-16-24(17-15-20(25)18-19,32(27,28)21-11-4-2-5-12-21)33(29,30)22-13-6-3-7-14-22/h2-9,11-14,19H,10,15-18H2,1H3/b9-8+