4-methyl-3-[4-(4-methylphenyl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[4-(4-methylphenyl)phenoxy]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[4-(p-tolyl)phenoxy]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[4-(4-methylphenyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[4-(4-methylphenyl)phenoxy]sulfonylbenzoic acid Traditional Name: 4-methyl-3-[4-(p-tolyl)phenoxy]sulfonyl-benzoic acid Formula: C21H18O5S MolecularWeight: 382.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H18O5S/c1-14-3-6-16(7-4-14)17-9-11-19(12-10-17)26-27(24,25)20-13-18(21(22)23)8-5-15(20)2/h3-13H,1-2H3,(H,22,23)