2-[(3-methylphenyl)-(2-sulfoethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(3-methylphenyl)-(2-sulfoethyl)amino]ethanesulfonic acid Openeye Name: 2-[3-methyl-N-(2-sulfoethyl)anilino]ethanesulfonic acid CAS Name: 2-[3-methyl-N-(2-sulfoethyl)anilino]ethanesulfonic acid IUPAC Name: 2-[3-methyl-N-(2-sulfoethyl)anilino]ethanesulfonic acid Traditional Name: 2-[3-methyl-N-(2-sulfoethyl)anilino]ethanesulfonic acid Formula: C11H17NO6S2 MolecularWeight: 323.38578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO6S2/c1-10-3-2-4-11(9-10)12(5-7-19(13,14)15)6-8-20(16,17)18/h2-4,9H,5-8H2,1H3,(H,13,14,15)(H,16,17,18)