sodium 3-[(2-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-[(2-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 2-hydroxy-3-(2-methylanilino)propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-(2-methylanilino)-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-(2-methylanilino)propane-1-sulfonate Traditional Name: sodium 2-hydroxy-3-(o-toluidino)propane-1-sulfonate Formula: C10H14NNaO4S MolecularWeight: 267.27723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC=CC=C1NCC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C10H15NO4S.Na/c1-8-4-2-3-5-10(8)11-6-9(12)7-16(13,14)15;/h2-5,9,11-12H,6-7H2,1H3,(H,13,14,15);/q;+1/p-1