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4-[hexadecyl-(3-methylphenyl)amino]butane-1-sulfonic acid

4-[hexadecyl-(3-methylphenyl)amino]butane-1-sulfonic acid

Systemtic Name:4-[hexadecyl-(3-methylphenyl)amino]butane-1-sulfonic acid
Openeye Name:4-(N-hexadecyl-3-methyl-anilino)butane-1-sulfonic acid
CAS Name:4-(N-hexadecyl-3-methylanilino)-1-butanesulfonic acid
IUPAC Name:4-(N-hexadecyl-3-methylanilino)butane-1-sulfonic acid
Traditional Name:4-(N-cetyl-3-methyl-anilino)butane-1-sulfonic acid
Formula: C27H49NO3S
MolecularWeight: 467.74786
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCS(=O)(=O)O)C1=CC=CC(=C1)C


Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCS(=O)(=O)O)C1=CC=CC(=C1)C


InChI

InChI=1S/C27H49NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28(23-17-18-24-32(29,30)31)27-21-19-20-26(2)25-27/h19-21,25H,3-18,22-24H2,1-2H3,(H,29,30,31)


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