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

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

Systemtic Name:4-[methyl(octadecyl)amino]-3-nitro-benzenesulfonic acid
Openeye Name:4-[methyl(octadecyl)amino]-3-nitro-benzenesulfonic acid
CAS Name:4-[methyl(octadecyl)amino]-3-nitrobenzenesulfonic acid
IUPAC Name:4-[methyl(octadecyl)amino]-3-nitrobenzenesulfonic acid
Traditional Name:4-[methyl(stearyl)amino]-3-nitro-besylic acid
Formula: C25H44N2O5S
MolecularWeight: 484.69226
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C25H44N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(2)24-20-19-23(33(30,31)32)22-25(24)27(28)29/h19-20,22H,3-18,21H2,1-2H3,(H,30,31,32)


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