sodium 2,3-dimethyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate

Systemtic Name: sodium 2,3-dimethyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Openeye Name: sodium 3-(6-hydroxy-6-oxo-hexyl)-2,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate CAS Name: sodium 3-(6-hydroxy-6-oxohexyl)-2,3-dimethyl-1-(3-sulfonatopropyl)-5-indol-1-iumsulfonate IUPAC Name: sodium 3-(6-hydroxy-6-oxohexyl)-2,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Traditional Name: sodium 3-(6-hydroxy-6-keto-hexyl)-2,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Formula: C19H26NNaO8S2 MolecularWeight: 483.53141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)S(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)S(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H27NO8S2.Na/c1-14-19(2,10-5-3-4-7-18(21)22)16-13-15(30(26,27)28)8-9-17(16)20(14)11-6-12-29(23,24)25;/h8-9,13H,3-7,10-12H2,1-2H3,(H2-,21,22,23,24,25,26,27,28);/q;+1/p-1