4-ethyl-3-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 3-benzylsulfonyl-4-ethyl-benzoic acid CAS Name: 4-ethyl-3-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 3-benzylsulfonyl-4-ethylbenzoic acid Traditional Name: 3-benzylsulfonyl-4-ethyl-benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H16O4S/c1-2-13-8-9-14(16(17)18)10-15(13)21(19,20)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18)