3-[1-(phenylsulfonylmethyl)cyclohex-3-en-1-yl]propanoic acid

Systemtic Name: 3-[1-(phenylsulfonylmethyl)cyclohex-3-en-1-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonylmethyl)cyclohex-3-en-1-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonylmethyl)-1-cyclohex-3-enyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonylmethyl)cyclohex-3-en-1-yl]propanoic acid Traditional Name: 3-[1-(besylmethyl)cyclohex-3-en-1-yl]propionic acid Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)(CCC(=O)O)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC(CC=C1)(CCC(=O)O)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20O4S/c17-15(18)9-12-16(10-5-2-6-11-16)13-21(19,20)14-7-3-1-4-8-14/h1-5,7-8H,6,9-13H2,(H,17,18)