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3-[(2-methylphenyl)amino]propane-1-sulfonic acid

3-[(2-methylphenyl)amino]propane-1-sulfonic acid

Systemtic Name:3-[(2-methylphenyl)amino]propane-1-sulfonic acid
Openeye Name:3-(2-methylanilino)propane-1-sulfonic acid
CAS Name:3-(2-methylanilino)-1-propanesulfonic acid
IUPAC Name:3-(2-methylanilino)propane-1-sulfonic acid
Traditional Name:3-(o-toluidino)propane-1-sulfonic acid
Formula: C10H15NO3S
MolecularWeight: 229.296
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCCCS(=O)(=O)O


Isomeric SMILES

CC1=CC=CC=C1NCCCS(=O)(=O)O


InChI

InChI=1S/C10H15NO3S/c1-9-5-2-3-6-10(9)11-7-4-8-15(12,13)14/h2-3,5-6,11H,4,7-8H2,1H3,(H,12,13,14)


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