diazanium (E)-2-(2-octan-3-yloxy-2-oxidanylidene-ethyl)tridec-4-enedioate

Systemtic Name: diazanium (E)-2-(2-octan-3-yloxy-2-oxidanylidene-ethyl)tridec-4-enedioate Openeye Name: diammonium (E)-2-[2-(1-ethylhexoxy)-2-oxo-ethyl]tridec-4-enedioate CAS Name: diammonium (E)-2-(2-octan-3-yloxy-2-oxoethyl)-4-tridecenedioate IUPAC Name: diazanium (E)-2-(2-octan-3-yloxy-2-oxoethyl)tridec-4-enedioate Traditional Name: diammonium (E)-2-[2-(1-ethylhexoxy)-2-keto-ethyl]tridec-4-enedioate Formula: C23H46N2O6 MolecularWeight: 446.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)CC(CC=CCCCCCCCC(=O)[O-])C(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CCCCCC(CC)OC(=O)CC(C/C=C/CCCCCCCC(=O)[O-])C(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C23H40O6.2H3N/c1-3-5-12-16-20(4-2)29-22(26)18-19(23(27)28)15-13-10-8-6-7-9-11-14-17-21(24)25;;/h10,13,19-20H,3-9,11-12,14-18H2,1-2H3,(H,24,25)(H,27,28);2*1H3/b13-10+;;