4-[(3,4-dimethylphenyl)sulfonylmethyl]benzoate

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfonylmethyl]benzoate Openeye Name: 4-[(3,4-dimethylphenyl)sulfonylmethyl]benzoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylmethyl]benzoate IUPAC Name: 4-[(3,4-dimethylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylmethyl]benzoate Formula: C16H15O4S- MolecularWeight: 303.3529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)[O-])C

InChI

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