(4-chlorophenyl) 3-azanylhexadecane-1-sulfonate

Systemtic Name: (4-chlorophenyl) 3-azanylhexadecane-1-sulfonate Openeye Name: (4-chlorophenyl) 3-aminohexadecane-1-sulfonate CAS Name: 3-amino-1-hexadecanesulfonic acid IUPAC Name: (4-chlorophenyl) 3-aminohexadecane-1-sulfonate Traditional Name: 3-aminohexadecane-1-sulfonic acid (4-chlorophenyl) ester Formula: C22H38ClNO3S MolecularWeight: 432.06002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCS(=O)(=O)OC1=CC=C(C=C1)Cl)N

Isomeric SMILES

CCCCCCCCCCCCCC(CCS(=O)(=O)OC1=CC=C(C=C1)Cl)N

InChI

InChI=1S/C22H38ClNO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(24)18-19-28(25,26)27-22-16-14-20(23)15-17-22/h14-17,21H,2-13,18-19,24H2,1H3