4-methyl-3-phenethylsulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-phenethylsulfonyl-benzoic acid Openeye Name: 4-methyl-3-phenethylsulfonyl-benzoic acid CAS Name: 4-methyl-3-phenethylsulfonylbenzoic acid IUPAC Name: 4-methyl-3-phenethylsulfonylbenzoic acid Traditional Name: 4-methyl-3-phenethylsulfonyl-benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H16O4S/c1-12-7-8-14(16(17)18)11-15(12)21(19,20)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,18)