N-butylbutan-1-amine; (E)-octadec-9-enoate

Systemtic Name: N-butylbutan-1-amine; (E)-octadec-9-enoate Openeye Name: N-butylbutan-1-amine; (E)-octadec-9-enoate CAS Name: N-butyl-1-butanamine; (E)-9-octadecenoate IUPAC Name: N-butylbutan-1-amine; (E)-octadec-9-enoate Traditional Name: dibutylamine; (E)-octadec-9-enoate Formula: C26H52NO2- MolecularWeight: 410.69658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCNCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCNCCCC

InChI

InChI=1S/C18H34O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9-8-6-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);9H,3-8H2,1-2H3/p-1/b10-9+;