azanium (E)-5-dodecyl-2,4-dimethyl-heptadec-2-enoate

Systemtic Name: azanium (E)-5-dodecyl-2,4-dimethyl-heptadec-2-enoate Openeye Name: ammonium (E)-5-dodecyl-2,4-dimethyl-heptadec-2-enoate CAS Name: ammonium (E)-5-dodecyl-2,4-dimethyl-2-heptadecenoate IUPAC Name: azanium (E)-5-dodecyl-2,4-dimethylheptadec-2-enoate Traditional Name: ammonium (E)-5-lauryl-2,4-dimethyl-heptadec-2-enoate Formula: C31H63NO2 MolecularWeight: 481.83742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(C)C=C(C)C(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(C)/C=C(\C)/C(=O)[O-].[NH4+]

InChI

InChI=1S/C31H60O2.H3N/c1-5-7-9-11-13-15-17-19-21-23-25-30(28(3)27-29(4)31(32)33)26-24-22-20-18-16-14-12-10-8-6-2;/h27-28,30H,5-26H2,1-4H3,(H,32,33);1H3/b29-27+;