3,5-bis(azanyl)-2-hexadecyl-benzoate

Systemtic Name: 3,5-bis(azanyl)-2-hexadecyl-benzoate Openeye Name: 3,5-diamino-2-hexadecyl-benzoate CAS Name: 3,5-diamino-2-hexadecylbenzoate IUPAC Name: 3,5-diamino-2-hexadecylbenzoate Traditional Name: 3,5-diamino-2-cetyl-benzoate Formula: C23H39N2O2- MolecularWeight: 375.56796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1C(=O)[O-])N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1C(=O)[O-])N)N

InChI

InChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(23(26)27)17-19(24)18-22(20)25/h17-18H,2-16,24-25H2,1H3,(H,26,27)/p-1