4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 4-[(2,3,3-trimethyl-1-indol-1-iumyl)methyl]-3-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]-3-(trioxidanylthio)besylic acid Formula: C18H20NO6S2+ MolecularWeight: 410.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=C(C=C(C=C3)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=C(C=C(C=C3)S(=O)(=O)O)SOOO

InChI

InChI=1S/C18H19NO6S2/c1-12-18(2,3)15-6-4-5-7-16(15)19(12)11-13-8-9-14(27(21,22)23)10-17(13)26-25-24-20/h4-10H,11H2,1-3H3,(H-,20,21,22,23)/p+1