2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine; (9E,12E)-octadeca-9,12-dienoic acid

Systemtic Name: 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine; (9E,12E)-octadeca-9,12-dienoic acid Openeye Name: 2-benzhydryloxy-N,N-dimethyl-ethanamine; (9E,12E)-octadeca-9,12-dienoic acid CAS Name: 2-(diphenylmethyl)oxy-N,N-dimethylethanamine; (9E,12E)-octadeca-9,12-dienoic acid IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine; (9E,12E)-octadeca-9,12-dienoic acid Traditional Name: 2-benzhydryloxyethyl(dimethyl)amine; (9E,12E)-octadeca-9,12-dienoic acid Formula: C35H53NO3 MolecularWeight: 535.80022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H32O2.C17H21NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3-12,17H,13-14H2,1-2H3/b7-6+,10-9+;