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

Systemtic Name: 3-[(3-methylphenyl)-(3-sulfopropyl)amino]propane-1-sulfonic acid Openeye Name: 3-[3-methyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid CAS Name: 3-[3-methyl-N-(3-sulfopropyl)anilino]-1-propanesulfonic acid IUPAC Name: 3-[3-methyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Traditional Name: 3-[3-methyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Formula: C13H21NO6S2 MolecularWeight: 351.43894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)CCCS(=O)(=O)O

InChI

InChI=1S/C13H21NO6S2/c1-12-5-2-6-13(11-12)14(7-3-9-21(15,16)17)8-4-10-22(18,19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H,15,16,17)(H,18,19,20)