methylbenzene; 2-oxidanyl-1,2-diphenyl-ethanone; 1-propoxypropane

Systemtic Name: methylbenzene; 2-oxidanyl-1,2-diphenyl-ethanone; 1-propoxypropane Openeye Name: 2-hydroxy-1,2-diphenyl-ethanone; 1-propoxypropane; toluene CAS Name: 2-hydroxy-1,2-diphenylethanone; 1-propoxypropane; toluene IUPAC Name: 2-hydroxy-1,2-diphenylethanone; 1-propoxypropane; toluene Traditional Name: benzoin; 1-propoxypropane; toluene Formula: C27H34O3 MolecularWeight: 406.55706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2.C7H8.C6H14O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7;1-3-5-7-6-4-2/h1-10,13,15H;2-6H,1H3;3-6H2,1-2H3