2,3,3-trimethyl-1-(3-sulfopropyl)-2H-indole-5-sulfonic acid

Systemtic Name: 2,3,3-trimethyl-1-(3-sulfopropyl)-2H-indole-5-sulfonic acid Openeye Name: 2,3,3-trimethyl-1-(3-sulfopropyl)indoline-5-sulfonic acid CAS Name: 2,3,3-trimethyl-1-(3-sulfopropyl)-2H-indole-5-sulfonic acid IUPAC Name: 2,3,3-trimethyl-1-(3-sulfopropyl)-2H-indole-5-sulfonic acid Traditional Name: 2,3,3-trimethyl-1-(3-sulfopropyl)indoline-5-sulfonic acid Formula: C14H21NO6S2 MolecularWeight: 363.44964

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C

Isomeric SMILES

CC1C(C2=C(N1CCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C

InChI

InChI=1S/C14H21NO6S2/c1-10-14(2,3)12-9-11(23(19,20)21)5-6-13(12)15(10)7-4-8-22(16,17)18/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17,18)(H,19,20,21)