1-(phenylsulfonyl)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(phenylsulfonyl)cycloheptane-1-carboxylic acid Openeye Name: 1-(benzenesulfonyl)cycloheptanecarboxylic acid CAS Name: 1-(benzenesulfonyl)-1-cycloheptanecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)cycloheptane-1-carboxylic acid Traditional Name: 1-besylcycloheptanecarboxylic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18O4S/c15-13(16)14(10-6-1-2-7-11-14)19(17,18)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)