2-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)ethanesulfonate

Systemtic Name: 2-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)ethanesulfonate Openeye Name: 2-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)ethanesulfonate CAS Name: 2-(2,3,3-trimethyl-5-sulfo-1-indol-1-iumyl)ethanesulfonate IUPAC Name: 2-(2,3,3-trimethyl-5-sulfoindol-1-ium-1-yl)ethanesulfonate Traditional Name: 2-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)ethanesulfonate Formula: C13H17NO6S2 MolecularWeight: 347.40718

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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)CCS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S2/c1-9-13(2,3)11-8-10(22(18,19)20)4-5-12(11)14(9)6-7-21(15,16)17/h4-5,8H,6-7H2,1-3H3,(H-,15,16,17,18,19,20)