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6-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]hexanoic acid

6-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]hexanoic acid

Systemtic Name:6-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]hexanoic acid
Openeye Name:6-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]hexanoic acid
CAS Name:6-[2,3,3-trimethyl-5-(trioxidanylthio)-1-indol-1-iumyl]hexanoic acid
IUPAC Name:6-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]hexanoic acid
Traditional Name:6-[2,3,3-trimethyl-5-(trioxidanylthio)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)SOOO)CCCCCC(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C17H23NO5S/c1-12-17(2,3)14-11-13(24-23-22-21)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)/p+1


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