N'-(2-azanylethyl)ethane-1,2-diamine; ethanoic acid; pentacosa-10,12-diynamide

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; ethanoic acid; pentacosa-10,12-diynamide Openeye Name: acetic acid; N'-(2-aminoethyl)ethane-1,2-diamine; pentacosa-10,12-diynamide CAS Name: acetic acid; N'-(2-aminoethyl)ethane-1,2-diamine; pentacosa-10,12-diynamide IUPAC Name: acetic acid; N'-(2-aminoethyl)ethane-1,2-diamine; pentacosa-10,12-diynamide Traditional Name: acetic acid; bis(2-aminoethyl)amine; pentacosa-10,12-diynamide Formula: C64H119N5O12 MolecularWeight: 1150.65596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)N.CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)N.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C(CNCCN)N

Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)N.CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)N.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C(CNCCN)N

InChI

InChI=1S/2C25H43NO.C4H13N3.5C2H4O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27;5-1-3-7-4-2-6;5*1-2(3)4/h2*2-12,17-24H2,1H3,(H2,26,27);7H,1-6H2;5*1H3,(H,3,4)