[(1S)-2-oxidanylidenecyclohexyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C21H22O6S/c1-14-7-8-15(2)20(13-14)28(24,25)27-17-11-9-16(10-12-17)21(23)26-19-6-4-3-5-18(19)22/h7-13,19H,3-6H2,1-2H3/t19-/m0/s1