ethane-1,2-diamine; (Z)-octadec-9-enoic acid; phosphoric acid

Systemtic Name: ethane-1,2-diamine; (Z)-octadec-9-enoic acid; phosphoric acid Openeye Name: ethane-1,2-diamine; (Z)-octadec-9-enoic acid; phosphoric acid CAS Name: ethane-1,2-diamine; (Z)-9-octadecenoic acid; phosphoric acid IUPAC Name: ethane-1,2-diamine; (Z)-octadec-9-enoic acid; phosphoric acid Traditional Name: 2-aminoethylamine; oleic acid; phosphoric acid Formula: C20H45N2O6P MolecularWeight: 440.554861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.C(CN)N.OP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CN)N.OP(=O)(O)O

InChI

InChI=1S/C18H34O2.C2H8N2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;1-5(2,3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H2;(H3,1,2,3,4)/b10-9-;;