3-[4-(hexadecan-2-ylamino)phenyl]propanoyl chloride hydrochloride

Systemtic Name: 3-[4-(hexadecan-2-ylamino)phenyl]propanoyl chloride hydrochloride Openeye Name: 3-[4-(1-methylpentadecylamino)phenyl]propanoyl chloride hydrochloride CAS Name: 3-[4-(hexadecan-2-ylamino)phenyl]propanoyl chloride hydrochloride IUPAC Name: 3-[4-(hexadecan-2-ylamino)phenyl]propanoyl chloride hydrochloride Traditional Name: 3-[4-(1-methylpentadecylamino)phenyl]propionyl chloride hydrochloride Formula: C25H43Cl2NO MolecularWeight: 444.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)CCC(=O)Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)CCC(=O)Cl.Cl

InChI

InChI=1S/C25H42ClNO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(2)27-24-19-16-23(17-20-24)18-21-25(26)28;/h16-17,19-20,22,27H,3-15,18,21H2,1-2H3;1H