3-azanyl-10-chloranyl-1-(hexadecylamino)icosan-4-ol

Systemtic Name: 3-azanyl-10-chloranyl-1-(hexadecylamino)icosan-4-ol Openeye Name: 3-amino-10-chloro-1-(hexadecylamino)icosan-4-ol CAS Name: 3-amino-10-chloro-1-(hexadecylamino)-4-eicosanol IUPAC Name: 3-amino-10-chloro-1-(hexadecylamino)icosan-4-ol Traditional Name: 3-amino-1-(cetylamino)-10-chloro-eicosan-4-ol Formula: C36H75ClN2O MolecularWeight: 587.4465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNCCC(C(CCCCCC(CCCCCCCCCC)Cl)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCNCCC(C(CCCCCC(CCCCCCCCCC)Cl)O)N

InChI

InChI=1S/C36H75ClN2O/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-27-32-39-33-31-35(38)36(40)30-26-23-25-29-34(37)28-24-21-19-12-10-8-6-4-2/h34-36,39-40H,3-33,38H2,1-2H3