azanium; calcium; sodium; decanoate; (9E,12E)-octadeca-9,12-dienoate; octadecanoate

Systemtic Name: azanium; calcium; sodium; decanoate; (9E,12E)-octadeca-9,12-dienoate; octadecanoate Openeye Name: ammonium; calcium; sodium; decanoate; (9E,12E)-octadeca-9,12-dienoate; octadecanoate CAS Name: ammonium; calcium; sodium; decanoate; (9E,12E)-octadeca-9,12-dienoate; octadecanoate IUPAC Name: azanium; calcium; sodium; decanoate; (9E,12E)-octadeca-9,12-dienoate; octadecanoate Traditional Name: ammonium; calcium; sodium; caprate; (9E,12E)-octadeca-9,12-dienoate; stearate Formula: C46H89CaNNaO6+ MolecularWeight: 815.26973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCC=CCC=CCCCCCCCC(=O)[O-].[NH4+].[Na+].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].[NH4+].[Na+].[Ca+2]

InChI

InChI=1S/C18H36O2.C18H32O2.C10H20O2.Ca.H3N.Na/c2*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;;;/h2-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2-9H2,1H3,(H,11,12);;1H3;/q;;;+2;;+1/p-2/b;7-6+,10-9+;;;;