3-[4-(cyclohexylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(cyclohexylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclohexylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(cyclohexylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclohexylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclohexylmethylsulfonyl)phenyl]propionic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C16H22O4S/c17-16(18)11-8-13-6-9-15(10-7-13)21(19,20)12-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-12H2,(H,17,18)