1-(3,4-dimethylphenyl)sulfonylcycloheptane-1-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptane-1-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptanecarboxylic acid CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cycloheptanecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptane-1-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptanecarboxylic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCCCC2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCCCC2)C(=O)O)C

InChI

InChI=1S/C16H22O4S/c1-12-7-8-14(11-13(12)2)21(19,20)16(15(17)18)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)