6-(1,1,2-trimethyl-7-sulfonato-indolizin-4-ium-3-yl)hexanoate

Systemtic Name: 6-(1,1,2-trimethyl-7-sulfonato-indolizin-4-ium-3-yl)hexanoate Openeye Name: 6-(1,1,2-trimethyl-7-sulfonato-indolizin-4-ium-3-yl)hexanoate CAS Name: 6-(1,1,2-trimethyl-7-sulfonato-3-indolizin-4-iumyl)hexanoate IUPAC Name: 6-(1,1,2-trimethyl-7-sulfonatoindolizin-4-ium-3-yl)hexanoate Traditional Name: 6-(1,1,2-trimethyl-7-sulfonato-indolizin-4-ium-3-yl)hexanoate Formula: C17H22NO5S- MolecularWeight: 352.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCCC(=O)[O-]

Isomeric SMILES

CC1=C([N+]2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCCC(=O)[O-]

InChI

InChI=1S/C17H23NO5S/c1-12-14(7-5-4-6-8-16(19)20)18-10-9-13(24(21,22)23)11-15(18)17(12,2)3/h9-11H,4-8H2,1-3H3,(H-,19,20,21,22,23)/p-1