oxirane; N2'-(3-phenyloxiran-2-yl)icosane-1,2,2-triamine

Systemtic Name: oxirane; N2'-(3-phenyloxiran-2-yl)icosane-1,2,2-triamine Openeye Name: oxirane; N2'-(3-phenyloxiran-2-yl)icosane-1,2,2-triamine CAS Name: oxirane; N2'-(3-phenyl-2-oxiranyl)eicosane-1,2,2-triamine IUPAC Name: oxirane; 2-N'-(3-phenyloxiran-2-yl)icosane-1,2,2-triamine Traditional Name: [1-amino-1-(aminomethyl)nonadecyl]-(3-phenyloxiran-2-yl)amine; ethylene oxide Formula: C30H55N3O2 MolecularWeight: 489.7766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CN)(N)NC1C(O1)C2=CC=CC=C2.C1CO1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CN)(N)NC1C(O1)C2=CC=CC=C2.C1CO1

InChI

InChI=1S/C28H51N3O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(30,24-29)31-27-26(32-27)25-21-18-17-19-22-25;1-2-3-1/h17-19,21-22,26-27,31H,2-16,20,23-24,29-30H2,1H3;1-2H2