azanium; calcium; sodium; dodecanoate; (E)-octadec-9-enoate; (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: azanium; calcium; sodium; dodecanoate; (E)-octadec-9-enoate; (E)-12-oxidanyloctadec-9-enoate Openeye Name: ammonium; calcium; sodium; dodecanoate; (E)-12-hydroxyoctadec-9-enoate; (E)-octadec-9-enoate CAS Name: ammonium; calcium; sodium; dodecanoate; (E)-12-hydroxy-9-octadecenoate; (E)-9-octadecenoate IUPAC Name: azanium; calcium; sodium; dodecanoate; (E)-12-hydroxyoctadec-9-enoate; (E)-octadec-9-enoate Traditional Name: ammonium; calcium; sodium; (E)-12-hydroxyoctadec-9-enoate; laurate; (E)-octadec-9-enoate Formula: C48H93CaNNaO7+ MolecularWeight: 859.32229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.[NH4+].[Na+].[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C18H34O3.C18H34O2.C12H24O2.Ca.H3N.Na/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);9-10H,2-8,11-17H2,1H3,(H,19,20);2-11H2,1H3,(H,13,14);;1H3;/q;;;+2;;+1/p-2/b12-9+;10-9+;;;;