N'-[[3,4-bis[(Z)-octadec-9-enoxy]phenyl]methyl]octane-1,8-diamine dihydrochloride

Systemtic Name: N'-[[3,4-bis[(Z)-octadec-9-enoxy]phenyl]methyl]octane-1,8-diamine dihydrochloride Openeye Name: N'-[[3,4-bis[(Z)-octadec-9-enoxy]phenyl]methyl]octane-1,8-diamine dihydrochloride CAS Name: N'-[[3,4-bis[(Z)-octadec-9-enoxy]phenyl]methyl]octane-1,8-diamine dihydrochloride IUPAC Name: N'-[[3,4-bis[(Z)-octadec-9-enoxy]phenyl]methyl]octane-1,8-diamine dihydrochloride Traditional Name: 8-aminooctyl-[3,4-bis[(Z)-octadec-9-enoxy]benzyl]amine dihydrochloride Formula: C51H96Cl2N2O2 MolecularWeight: 840.22614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC1=C(C=C(C=C1)CNCCCCCCCCN)OCCCCCCCCC=CCCCCCCCC.Cl.Cl

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC1=C(C=C(C=C1)CNCCCCCCCCN)OCCCCCCCC/C=C\CCCCCCCC.Cl.Cl

InChI

InChI=1S/C51H94N2O2.2ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-45-54-50-42-41-49(48-53-44-38-34-30-29-33-37-43-52)47-51(50)55-46-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h17-20,41-42,47,53H,3-16,21-40,43-46,48,52H2,1-2H3;2*1H/b19-17-,20-18-;;