3-azanylideneisoindol-1-amine; (E)-octadec-9-enoate

Systemtic Name: 3-azanylideneisoindol-1-amine; (E)-octadec-9-enoate Openeye Name: 3-iminoisoindol-1-amine; (E)-octadec-9-enoate CAS Name: 3-imino-1-isoindolamine; (E)-9-octadecenoate IUPAC Name: 3-iminoisoindol-1-amine; (E)-octadec-9-enoate Traditional Name: (3-iminoisoindol-1-yl)amine; (E)-octadec-9-enoate Formula: C26H40N3O2- MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C(=NC2=N)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C(=NC2=N)N

InChI

InChI=1S/C18H34O2.C8H7N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-7-5-3-1-2-4-6(5)8(10)11-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H,(H3,9,10,11)/p-1/b10-9+;