ethanedioic acid; 1-methyl-4-(phenylsulfonyl)benzene

Systemtic Name: ethanedioic acid; 1-methyl-4-(phenylsulfonyl)benzene Openeye Name: 1-(benzenesulfonyl)-4-methyl-benzene; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-methylbenzene; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-methylbenzene; oxalic acid Traditional Name: 1-besyl-4-methyl-benzene; oxalic acid Formula: C15H14O6S MolecularWeight: 322.33306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O2S.C2H2O4/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12;3-1(4)2(5)6/h2-10H,1H3;(H,3,4)(H,5,6)