4-[2,4-bis(azanyl)-3-nonadecan-2-yl-phenoxy]-2-nonadecan-2-yl-benzene-1,3-diamine

Systemtic Name: 4-[2,4-bis(azanyl)-3-nonadecan-2-yl-phenoxy]-2-nonadecan-2-yl-benzene-1,3-diamine Openeye Name: 4-[2,4-diamino-3-(1-methyloctadecyl)phenoxy]-2-(1-methyloctadecyl)benzene-1,3-diamine CAS Name: 4-(2,4-diamino-3-nonadecan-2-ylphenoxy)-2-nonadecan-2-ylbenzene-1,3-diamine IUPAC Name: 4-(2,4-diamino-3-nonadecan-2-ylphenoxy)-2-nonadecan-2-ylbenzene-1,3-diamine Traditional Name: [3-amino-4-[2,4-diamino-3-(1-methyloctadecyl)phenoxy]-2-(1-methyloctadecyl)phenyl]amine Formula: C50H90N4O MolecularWeight: 763.2758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)C1=C(C=CC(=C1N)OC2=C(C(=C(C=C2)N)C(C)CCCCCCCCCCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)C1=C(C=CC(=C1N)OC2=C(C(=C(C=C2)N)C(C)CCCCCCCCCCCCCCCCC)N)N

InChI

InChI=1S/C50H90N4O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(3)47-43(51)37-39-45(49(47)53)55-46-40-38-44(52)48(50(46)54)42(4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-42H,5-36,51-54H2,1-4H3