1,2-diphenylethanone; 4-methylbenzenesulfonic acid

Systemtic Name: 1,2-diphenylethanone; 4-methylbenzenesulfonic acid Openeye Name: 1,2-diphenylethanone; 4-methylbenzenesulfonic acid CAS Name: 1,2-diphenylethanone; 4-methylbenzenesulfonic acid IUPAC Name: 1,2-diphenylethanone; 4-methylbenzenesulfonic acid Traditional Name: deoxybenzoin; tosylic acid Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O.C7H8O3S/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11H2;2-5H,1H3,(H,8,9,10)