sodium 3-(4-ethoxy-4-oxidanylidene-butyl)-2,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate

Systemtic Name: sodium 3-(4-ethoxy-4-oxidanylidene-butyl)-2,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Openeye Name: sodium 3-(4-ethoxy-4-oxo-butyl)-2,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate CAS Name: sodium 3-(4-ethoxy-4-oxobutyl)-2,3-dimethyl-1-(3-sulfonatopropyl)-5-indol-1-iumsulfonate IUPAC Name: sodium 3-(4-ethoxy-4-oxobutyl)-2,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Traditional Name: sodium 3-(4-ethoxy-4-keto-butyl)-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:

CCOC(=O)CCCC1(C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)[O-])CCCS(=O)(=O)[O-])C)C.[Na+]

Isomeric SMILES

CCOC(=O)CCCC1(C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)[O-])CCCS(=O)(=O)[O-])C)C.[Na+]

InChI

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