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

Systemtic Name: 1-butoxybutane; methylbenzene; 2-oxidanyl-1,2-diphenyl-ethanone Openeye Name: 1-butoxybutane; 2-hydroxy-1,2-diphenyl-ethanone; toluene CAS Name: 1-butoxybutane; 2-hydroxy-1,2-diphenylethanone; toluene IUPAC Name: 1-butoxybutane; 2-hydroxy-1,2-diphenylethanone; toluene Traditional Name: benzoin; 1-butoxybutane; toluene Formula: C29H38O3 MolecularWeight: 434.61022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2.C8H18O.C7H8/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-7-9-8-6-4-2;1-7-5-3-2-4-6-7/h1-10,13,15H;3-8H2,1-2H3;2-6H,1H3