3-(1,1,2,4-tetramethyl-6-sulfo-indol-1-ium-3-yl)propane-1-sulfonate hydroxide

Systemtic Name: 3-(1,1,2,4-tetramethyl-6-sulfo-indol-1-ium-3-yl)propane-1-sulfonate hydroxide Openeye Name: 3-(1,1,2,4-tetramethyl-6-sulfo-indol-1-ium-3-yl)propane-1-sulfonate hydroxide CAS Name: 3-(1,1,2,4-tetramethyl-6-sulfo-3-indol-1-iumyl)-1-propanesulfonate hydroxide IUPAC Name: 3-(1,1,2,4-tetramethyl-6-sulfoindol-1-ium-3-yl)propane-1-sulfonate hydroxide Traditional Name: 3-(1,1,2,4-tetramethyl-6-sulfo-indol-1-ium-3-yl)propane-1-sulfonate hydroxide Formula: C15H22NO7S2- MolecularWeight: 392.46768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=C([N+]2(C)C)C)CCCS(=O)(=O)[O-])S(=O)(=O)O.[OH-]

Isomeric SMILES

CC1=CC(=CC2=C1C(=C([N+]2(C)C)C)CCCS(=O)(=O)[O-])S(=O)(=O)O.[OH-]

InChI

InChI=1S/C15H21NO6S2.H2O/c1-10-8-12(24(20,21)22)9-14-15(10)13(11(2)16(14,3)4)6-5-7-23(17,18)19;/h8-9H,5-7H2,1-4H3,(H-,17,18,19,20,21,22);1H2/p-1