2-[1-(4-cyclohexylphenyl)ethylsulfonyl]ethanoic acid

Systemtic Name: 2-[1-(4-cyclohexylphenyl)ethylsulfonyl]ethanoic acid Openeye Name: 2-[1-(4-cyclohexylphenyl)ethylsulfonyl]acetic acid CAS Name: 2-[1-(4-cyclohexylphenyl)ethylsulfonyl]acetic acid IUPAC Name: 2-[1-(4-cyclohexylphenyl)ethylsulfonyl]acetic acid Traditional Name: 2-[1-(4-cyclohexylphenyl)ethylsulfonyl]acetic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CCCCC2)S(=O)(=O)CC(=O)O

InChI

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