2-[4-(3,4-dimethylphenyl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-(3,4-dimethylphenyl)phenyl]sulfonylethanoic acid Openeye Name: 2-[4-(3,4-dimethylphenyl)phenyl]sulfonylacetic acid CAS Name: 2-[4-(3,4-dimethylphenyl)phenyl]sulfonylacetic acid IUPAC Name: 2-[4-(3,4-dimethylphenyl)phenyl]sulfonylacetic acid Traditional Name: 2-[4-(3,4-dimethylphenyl)phenyl]sulfonylacetic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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