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

Systemtic Name: 3-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[2,3,3-trimethyl-5-(trioxidanylthio)-1-indol-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[2,3,3-trimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2,3,3-trimethyl-5-(trioxidanylthio)indol-1-ium-1-yl]propane-1-sulfonic acid Formula: C14H20NO6S2+ MolecularWeight: 362.4417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2/c1-10-14(2,3)12-9-11(22-21-20-16)5-6-13(12)15(10)7-4-8-23(17,18)19/h5-6,9H,4,7-8H2,1-3H3,(H-,16,17,18,19)/p+1