N-(1-chloranylhexan-3-yl)-N-octadecyl-octadecan-1-amine

Systemtic Name: N-(1-chloranylhexan-3-yl)-N-octadecyl-octadecan-1-amine Openeye Name: N-[1-(2-chloroethyl)butyl]-N-octadecyl-octadecan-1-amine CAS Name: N-(1-chlorohexan-3-yl)-N-octadecyl-1-octadecanamine IUPAC Name: N-(1-chlorohexan-3-yl)-N-octadecyloctadecan-1-amine Traditional Name: 1-(2-chloroethyl)butyl-distearyl-amine Formula: C42H86ClN MolecularWeight: 640.59194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CCC)CCCl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CCC)CCCl

InChI

InChI=1S/C42H86ClN/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-44(42(37-6-3)38-39-43)41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h42H,4-41H2,1-3H3