3-(cyclopropylmethylsulfonyl)-4-ethyl-benzoic acid

Systemtic Name: 3-(cyclopropylmethylsulfonyl)-4-ethyl-benzoic acid Openeye Name: 3-(cyclopropylmethylsulfonyl)-4-ethyl-benzoic acid CAS Name: 3-(cyclopropylmethylsulfonyl)-4-ethylbenzoic acid IUPAC Name: 3-(cyclopropylmethylsulfonyl)-4-ethylbenzoic acid Traditional Name: 3-(cyclopropylmethylsulfonyl)-4-ethyl-benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CC2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CC2

InChI

InChI=1S/C13H16O4S/c1-2-10-5-6-11(13(14)15)7-12(10)18(16,17)8-9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,14,15)