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3-azanyl-4-[methyl(octadecyl)amino]benzenesulfonic acid

3-azanyl-4-[methyl(octadecyl)amino]benzenesulfonic acid

Systemtic Name:3-azanyl-4-[methyl(octadecyl)amino]benzenesulfonic acid
Openeye Name:3-amino-4-[methyl(octadecyl)amino]benzenesulfonic acid
CAS Name:3-amino-4-[methyl(octadecyl)amino]benzenesulfonic acid
IUPAC Name:3-amino-4-[methyl(octadecyl)amino]benzenesulfonic acid
Traditional Name:3-amino-4-[methyl(stearyl)amino]besylic acid
Formula: C25H46N2O3S
MolecularWeight: 454.70934
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)N


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)N


InChI

InChI=1S/C25H46N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)25-20-19-23(22-24(25)26)31(28,29)30/h19-20,22H,3-18,21,26H2,1-2H3,(H,28,29,30)


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