2-ethyl-3-methylsulfonyl-4-phenyl-benzoic acid

Systemtic Name: 2-ethyl-3-methylsulfonyl-4-phenyl-benzoic acid Openeye Name: 2-ethyl-3-methylsulfonyl-4-phenyl-benzoic acid CAS Name: 2-ethyl-3-methylsulfonyl-4-phenylbenzoic acid IUPAC Name: 2-ethyl-3-methylsulfonyl-4-phenylbenzoic acid Traditional Name: 2-ethyl-3-mesyl-4-phenyl-benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H16O4S/c1-3-12-14(16(17)18)10-9-13(15(12)21(2,19)20)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,18)