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6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid

6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid

Systemtic Name:6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid
Openeye Name:6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid
CAS Name:6-(2,3,3-trimethyl-5-sulfo-1-indol-1-iumyl)hexanoic acid
IUPAC Name:6-(2,3,3-trimethyl-5-sulfoindol-1-ium-1-yl)hexanoic acid
Traditional Name:6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid
Formula: C17H24NO5S+
MolecularWeight: 354.44116
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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


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