hexadecyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: hexadecyl 3-azanyl-4-chloranyl-benzoate Openeye Name: hexadecyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid cetyl ester Formula: C23H38ClNO2 MolecularWeight: 396.00632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3