2,3,3-trimethyl-1-(4-sulfobutyl)-2H-indole-5-sulfonic acid

Systemtic Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-2H-indole-5-sulfonic acid Openeye Name: 2,3,3-trimethyl-1-(4-sulfobutyl)indoline-5-sulfonic acid CAS Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-2H-indole-5-sulfonic acid IUPAC Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-2H-indole-5-sulfonic acid Traditional Name: 2,3,3-trimethyl-1-(4-sulfobutyl)indoline-5-sulfonic acid Formula: C15H23NO6S2 MolecularWeight: 377.47622

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CCCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C

Isomeric SMILES

CC1C(C2=C(N1CCCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C

InChI

InChI=1S/C15H23NO6S2/c1-11-15(2,3)13-10-12(24(20,21)22)6-7-14(13)16(11)8-4-5-9-23(17,18)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18,19)(H,20,21,22)