1-[2-(hydroxymethyl)phenyl]-2-oxidanyl-2-phenyl-ethanone; 4-methylbenzenesulfonate

Systemtic Name: 1-[2-(hydroxymethyl)phenyl]-2-oxidanyl-2-phenyl-ethanone; 4-methylbenzenesulfonate Openeye Name: 2-hydroxy-1-[2-(hydroxymethyl)phenyl]-2-phenyl-ethanone; 4-methylbenzenesulfonate CAS Name: 2-hydroxy-1-[2-(hydroxymethyl)phenyl]-2-phenylethanone; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxy-1-[2-(hydroxymethyl)phenyl]-2-phenylethanone; 4-methylbenzenesulfonate Traditional Name: 2-hydroxy-1-(2-methylolphenyl)-2-phenyl-ethanone tosylate Formula: C22H21O6S- MolecularWeight: 413.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CO)O

InChI

InChI=1S/C15H14O3.C7H8O3S/c16-10-12-8-4-5-9-13(12)15(18)14(17)11-6-2-1-3-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,14,16-17H,10H2;2-5H,1H3,(H,8,9,10)/p-1