azanium; zinc; dodecanoate; (9E,12E)-octadeca-9,12-dienoate; (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: azanium; zinc; dodecanoate; (9E,12E)-octadeca-9,12-dienoate; (E)-12-oxidanyloctadec-9-enoate Openeye Name: ammonium; zinc; dodecanoate; (E)-12-hydroxyoctadec-9-enoate; (9E,12E)-octadeca-9,12-dienoate CAS Name: ammonium; zinc; dodecanoate; (E)-12-hydroxy-9-octadecenoate; (9E,12E)-octadeca-9,12-dienoate IUPAC Name: azanium; zinc; dodecanoate; (E)-12-hydroxyoctadec-9-enoate; (9E,12E)-octadeca-9,12-dienoate Traditional Name: ammonium; zinc; (E)-12-hydroxyoctadec-9-enoate; laurate; (9E,12E)-octadeca-9,12-dienoate Formula: C48H91NO7Zn MolecularWeight: 859.64764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.CCCCCC=CCC=CCCCCCCCC(=O)[O-].[NH4+].[Zn+2]

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].CCCCCCC(C/C=C/CCCCCCCC(=O)[O-])O.CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].[NH4+].[Zn+2]

InChI

InChI=1S/C18H34O3.C18H32O2.C12H24O2.H3N.Zn/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2-11H2,1H3,(H,13,14);1H3;/q;;;;+2/p-2/b12-9+;7-6+,10-9+;;;