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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C1=CC(=CC(=C1)C)C)C(CC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(N(C1=CC(=CC(=C1)C)C)C(CC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H23NO6S2/c1-5-13(22(16,17)18)15(14(6-2)23(19,20)21)12-8-10(3)7-11(4)9-12/h7-9,13-14H,5-6H2,1-4H3,(H,16,17,18)(H,19,20,21)