N'-[12,13,13-tris(4-methoxyphenyl)tridec-12-enyl]ethane-1,2-diamine

Systemtic Name: N'-[12,13,13-tris(4-methoxyphenyl)tridec-12-enyl]ethane-1,2-diamine Openeye Name: N'-[12,13,13-tris(4-methoxyphenyl)tridec-12-enyl]ethane-1,2-diamine CAS Name: N'-[12,13,13-tris(4-methoxyphenyl)tridec-12-enyl]ethane-1,2-diamine IUPAC Name: N'-[12,13,13-tris(4-methoxyphenyl)tridec-12-enyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[12,13,13-tris(4-methoxyphenyl)tridec-12-enyl]amine Formula: C36H50N2O3 MolecularWeight: 558.7938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)CCCCCCCCCCCNCCN

Isomeric SMILES

COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)CCCCCCCCCCCNCCN

InChI

InChI=1S/C36H50N2O3/c1-39-32-20-14-29(15-21-32)35(13-11-9-7-5-4-6-8-10-12-27-38-28-26-37)36(30-16-22-33(40-2)23-17-30)31-18-24-34(41-3)25-19-31/h14-25,38H,4-13,26-28,37H2,1-3H3