hexadecyl 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: hexadecyl 5-azanyl-2-oxidanyl-benzoate Openeye Name: hexadecyl 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid cetyl ester Formula: C23H39NO3 MolecularWeight: 377.56066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)21-19-20(24)16-17-22(21)25/h16-17,19,25H,2-15,18,24H2,1H3