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

Systemtic Name: 2-[3,5-bis(azanyl)hexadecyl]benzoate Openeye Name: 2-(3,5-diaminohexadecyl)benzoate CAS Name: 2-(3,5-diaminohexadecyl)benzoate IUPAC Name: 2-(3,5-diaminohexadecyl)benzoate Traditional Name: 2-(3,5-diaminohexadecyl)benzoate Formula: C23H39N2O2- MolecularWeight: 375.56796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(CCC1=CC=CC=C1C(=O)[O-])N)N

Isomeric SMILES

CCCCCCCCCCCC(CC(CCC1=CC=CC=C1C(=O)[O-])N)N

InChI

InChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-14-20(24)18-21(25)17-16-19-13-11-12-15-22(19)23(26)27/h11-13,15,20-21H,2-10,14,16-18,24-25H2,1H3,(H,26,27)/p-1