N'-(2-azanylethyl)ethane-1,2-diamine; hexanedioic acid; octadecanoic acid

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; hexanedioic acid; octadecanoic acid Openeye Name: adipic acid; N'-(2-aminoethyl)ethane-1,2-diamine; stearic acid CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; hexanedioic acid; octadecanoic acid IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; hexanedioic acid; octadecanoic acid Traditional Name: adipic acid; bis(2-aminoethyl)amine; stearic acid Formula: C28H59N3O6 MolecularWeight: 533.78456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.C(CCC(=O)O)CC(=O)O.C(CNCCN)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.C(CCC(=O)O)CC(=O)O.C(CNCCN)N

InChI

InChI=1S/C18H36O2.C6H10O4.C4H13N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-5(8)3-1-2-4-6(9)10;5-1-3-7-4-2-6/h2-17H2,1H3,(H,19,20);1-4H2,(H,7,8)(H,9,10);7H,1-6H2