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

Systemtic Name: 3-[4-(cyclopropylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclopropylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(cyclopropylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclopropylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclopropylmethylsulfonyl)phenyl]propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1CC1CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C13H16O4S/c14-13(15)8-5-10-3-6-12(7-4-10)18(16,17)9-11-1-2-11/h3-4,6-7,11H,1-2,5,8-9H2,(H,14,15)