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

Systemtic Name: 3-(1,1,2-trimethyl-6-sulfo-indol-1-ium-3-yl)propane-1-sulfonate hydroxide Openeye Name: 3-(1,1,2-trimethyl-6-sulfo-indol-1-ium-3-yl)propane-1-sulfonate hydroxide CAS Name: 3-(1,1,2-trimethyl-6-sulfo-3-indol-1-iumyl)-1-propanesulfonate hydroxide IUPAC Name: 3-(1,1,2-trimethyl-6-sulfoindol-1-ium-3-yl)propane-1-sulfonate hydroxide Traditional Name: 3-(1,1,2-trimethyl-6-sulfo-indol-1-ium-3-yl)propane-1-sulfonate hydroxide Formula: C14H20NO7S2- MolecularWeight: 378.4411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([N+]1(C)C)C=C(C=C2)S(=O)(=O)O)CCCS(=O)(=O)[O-].[OH-]

Isomeric SMILES

CC1=C(C2=C([N+]1(C)C)C=C(C=C2)S(=O)(=O)O)CCCS(=O)(=O)[O-].[OH-]

InChI

InChI=1S/C14H19NO6S2.H2O/c1-10-12(5-4-8-22(16,17)18)13-7-6-11(23(19,20)21)9-14(13)15(10,2)3;/h6-7,9H,4-5,8H2,1-3H3,(H-,16,17,18,19,20,21);1H2/p-1