N-chloranylhexadecan-1-amine; 4-ethylbenzoic acid

Systemtic Name: N-chloranylhexadecan-1-amine; 4-ethylbenzoic acid Openeye Name: N-chlorohexadecan-1-amine; 4-ethylbenzoic acid CAS Name: N-chloro-1-hexadecanamine; 4-ethylbenzoic acid IUPAC Name: N-chlorohexadecan-1-amine; 4-ethylbenzoic acid Traditional Name: cetyl(chloro)amine; 4-ethylbenzoic acid Formula: C25H44ClNO2 MolecularWeight: 426.07536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNCl.CCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNCl.CCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H34ClN.C9H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17;1-2-7-3-5-8(6-4-7)9(10)11/h18H,2-16H2,1H3;3-6H,2H2,1H3,(H,10,11)