[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidanyl-phenyl)ethenyl]indol-1-ium-1-yl]methanesulfonic acid

Systemtic Name: [3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidanyl-phenyl)ethenyl]indol-1-ium-1-yl]methanesulfonic acid Openeye Name: [2-[(E)-2-(2-hydroxy-5-nitro-phenyl)vinyl]-3,3-dimethyl-indol-1-ium-1-yl]methanesulfonic acid CAS Name: [2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-3,3-dimethyl-1-indol-1-iumyl]methanesulfonic acid IUPAC Name: [2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-3,3-dimethylindol-1-ium-1-yl]methanesulfonic acid Traditional Name: [2-[(E)-2-(2-hydroxy-5-nitro-phenyl)vinyl]-3,3-dimethyl-indol-1-ium-1-yl]methanesulfonic acid Formula: C19H19N2O6S+ MolecularWeight: 403.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C=CC(=C3)[N+](=O)[O-])O)CS(=O)(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)CS(=O)(=O)O)C

InChI

InChI=1S/C19H18N2O6S/c1-19(2)15-5-3-4-6-16(15)20(12-28(25,26)27)18(19)10-7-13-11-14(21(23)24)8-9-17(13)22/h3-11H,12H2,1-2H3,(H,25,26,27)/p+1