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

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

Systemtic Name:3-[ethyl-(3-methylphenyl)amino]propane-1-sulfonic acid
Openeye Name:3-(N-ethyl-3-methyl-anilino)propane-1-sulfonic acid
CAS Name:3-(N-ethyl-3-methylanilino)-1-propanesulfonic acid
IUPAC Name:3-(N-ethyl-3-methylanilino)propane-1-sulfonic acid
Traditional Name:3-(N-ethyl-3-methyl-anilino)propane-1-sulfonic acid
Formula: C12H19NO3S
MolecularWeight: 257.34916
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CC=CC(=C1)C


Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC=CC(=C1)C


InChI

InChI=1S/C12H19NO3S/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16)


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