3-methylbutanal; 2-oxidanyl-1,2-diphenyl-ethanone

Systemtic Name: 3-methylbutanal; 2-oxidanyl-1,2-diphenyl-ethanone Openeye Name: 2-hydroxy-1,2-diphenyl-ethanone; 3-methylbutanal CAS Name: 2-hydroxy-1,2-diphenylethanone; 3-methylbutanal IUPAC Name: 2-hydroxy-1,2-diphenylethanone; 3-methylbutanal Traditional Name: benzoin; 3-methylbutyraldehyde Formula: C19H22O3 MolecularWeight: 298.37618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2.C5H10O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-5(2)3-4-6/h1-10,13,15H;4-5H,3H2,1-2H3