2-methylbenzenesulfonic acid; 2-oxidanyl-1,2-diphenyl-ethanone

Systemtic Name: 2-methylbenzenesulfonic acid; 2-oxidanyl-1,2-diphenyl-ethanone Openeye Name: 2-hydroxy-1,2-diphenyl-ethanone; 2-methylbenzenesulfonic acid CAS Name: 2-hydroxy-1,2-diphenylethanone; 2-methylbenzenesulfonic acid IUPAC Name: 2-hydroxy-1,2-diphenylethanone; 2-methylbenzenesulfonic acid Traditional Name: benzoin; 2-methylbesylic acid Formula: C21H20O5S MolecularWeight: 384.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H12O2.C7H8O3S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-6-4-2-3-5-7(6)11(8,9)10/h1-10,13,15H;2-5H,1H3,(H,8,9,10)