methane; 4-methylbenzenesulfonate; 2-oxidanyl-1,2-diphenyl-ethanone

Systemtic Name: methane; 4-methylbenzenesulfonate; 2-oxidanyl-1,2-diphenyl-ethanone Openeye Name: 2-hydroxy-1,2-diphenyl-ethanone; methane; 4-methylbenzenesulfonate CAS Name: 2-hydroxy-1,2-diphenylethanone; methane; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxy-1,2-diphenylethanone; methane; 4-methylbenzenesulfonate Traditional Name: benzoin; methane; tosylate Formula: C22H23O5S- MolecularWeight: 399.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2.C7H8O3S.CH4/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)11(8,9)10;/h1-10,13,15H;2-5H,1H3,(H,8,9,10);1H4/p-1