N'-(2-azanylethyl)ethane-1,2-diamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine Openeye Name: N'-(2-aminoethyl)ethane-1,2-diamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; benzene-1,3-dicarboxylic acid diphenyl ester; hexane-1,6-diamine IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; diphenyl benzene-1,3-dicarboxylate; hexane-1,6-diamine Traditional Name: 6-aminohexylamine; benzene-1,3-dicarboxylic acid diphenyl ester; bis(2-aminoethyl)amine Formula: C30H43N5O4 MolecularWeight: 537.69352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3.C(CCCN)CCN.C(CNCCN)N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3.C(CCCN)CCN.C(CNCCN)N

InChI

InChI=1S/C20H14O4.C6H16N2.C4H13N3/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18;7-5-3-1-2-4-6-8;5-1-3-7-4-2-6/h1-14H;1-8H2;7H,1-6H2