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

Systemtic Name: 3-[(3,5-dimethylphenyl)-(3-sulfopropyl)amino]propane-1-sulfonic acid Openeye Name: 3-[3,5-dimethyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid CAS Name: 3-[3,5-dimethyl-N-(3-sulfopropyl)anilino]-1-propanesulfonic acid IUPAC Name: 3-[3,5-dimethyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Traditional Name: 3-[3,5-dimethyl-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Formula: C14H23NO6S2 MolecularWeight: 365.46552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO6S2/c1-12-9-13(2)11-14(10-12)15(5-3-7-22(16,17)18)6-4-8-23(19,20)21/h9-11H,3-8H2,1-2H3,(H,16,17,18)(H,19,20,21)