[(2Z)-2-[(E)-3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]methanesulfonate

Systemtic Name: [(2Z)-2-[(E)-3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]methanesulfonate Openeye Name: [(2Z)-2-[(E)-3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indolin-1-yl]methanesulfonate CAS Name: [(2Z)-2-[(E)-3-[3,3-dimethyl-1-(sulfonatomethyl)-2-indol-1-iumyl]prop-2-enylidene]-3,3-dimethyl-1-indolyl]methanesulfonate IUPAC Name: [(2Z)-2-[(E)-3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]methanesulfonate Traditional Name: [(2Z)-2-[(E)-3-[3,3-dimethyl-1-(sulfonatomethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indolin-1-yl]methanesulfonate Formula: C25H27N2O6S2- MolecularWeight: 515.62168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CS(=O)(=O)[O-])(C)C)CS(=O)(=O)[O-])C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\3/C(C4=CC=CC=C4N3CS(=O)(=O)[O-])(C)C)CS(=O)(=O)[O-])C

InChI

InChI=1S/C25H28N2O6S2/c1-24(2)18-10-5-7-12-20(18)26(16-34(28,29)30)22(24)14-9-15-23-25(3,4)19-11-6-8-13-21(19)27(23)17-35(31,32)33/h5-15H,16-17H2,1-4H3,(H-,28,29,30,31,32,33)/p-1