4-[(2-hexadecylphenyl)-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[(2-hexadecylphenyl)-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[(2-hexadecylphenyl)-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[(2-hexadecylphenyl)-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[(2-hexadecylphenyl)-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[(2-cetylphenyl)-dimethyl-ammonio]butane-1-sulfonate Formula: C28H51NO3S MolecularWeight: 481.77444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C28H51NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-23-18-19-24-28(27)29(2,3)25-20-21-26-33(30,31)32/h18-19,23-24H,4-17,20-22,25-26H2,1-3H3