6-(2,3,3-trimethyl-5-sulfonato-indol-1-ium-1-yl)hexanoate

Systemtic Name: 6-(2,3,3-trimethyl-5-sulfonato-indol-1-ium-1-yl)hexanoate Openeye Name: 6-(2,3,3-trimethyl-5-sulfonato-indol-1-ium-1-yl)hexanoate CAS Name: 6-(2,3,3-trimethyl-5-sulfonato-1-indol-1-iumyl)hexanoate IUPAC Name: 6-(2,3,3-trimethyl-5-sulfonatoindol-1-ium-1-yl)hexanoate Traditional Name: 6-(2,3,3-trimethyl-5-sulfonato-indol-1-ium-1-yl)hexanoate Formula: C17H22NO5S- MolecularWeight: 352.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S/c1-12-17(2,3)14-11-13(24(21,22)23)8-9-15(14)18(12)10-6-4-5-7-16(19)20/h8-9,11H,4-7,10H2,1-3H3,(H-,19,20,21,22,23)/p-1