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azanyl 3-[dodecyl-(3-methyl-4-nitro-phenyl)amino]propane-1-sulfonate

azanyl 3-[dodecyl-(3-methyl-4-nitro-phenyl)amino]propane-1-sulfonate

Systemtic Name:azanyl 3-[dodecyl-(3-methyl-4-nitro-phenyl)amino]propane-1-sulfonate
Openeye Name:amino 3-(N-dodecyl-3-methyl-4-nitro-anilino)propane-1-sulfonate
CAS Name:3-(N-dodecyl-3-methyl-4-nitroanilino)-1-propanesulfonic acid
IUPAC Name:amino 3-(N-dodecyl-3-methyl-4-nitroanilino)propane-1-sulfonate
Traditional Name:3-(N-lauryl-3-methyl-4-nitro-anilino)propane-1-sulfonic acid amino ester
Formula: C22H39N3O5S
MolecularWeight: 457.62716
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCS(=O)(=O)ON)C1=CC(=C(C=C1)[N+](=O)[O-])C


Isomeric SMILES

CCCCCCCCCCCCN(CCCS(=O)(=O)ON)C1=CC(=C(C=C1)[N+](=O)[O-])C


InChI

InChI=1S/C22H39N3O5S/c1-3-4-5-6-7-8-9-10-11-12-16-24(17-13-18-31(28,29)30-23)21-14-15-22(25(26)27)20(2)19-21/h14-15,19H,3-13,16-18,23H2,1-2H3


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