3-[(2,5-dimethylphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(2,5-dimethylphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(2,5-dimethylanilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(2,5-dimethylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(2,5-dimethylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(2,5-dimethylanilino)-2-hydroxy-propane-1-sulfonic acid Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NCC(CS(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NCC(CS(=O)(=O)O)O

InChI

InChI=1S/C11H17NO4S/c1-8-3-4-9(2)11(5-8)12-6-10(13)7-17(14,15)16/h3-5,10,12-13H,6-7H2,1-2H3,(H,14,15,16)