2-[(Z)-2-bromanyl-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-5-nitro-benzenesulfonate; 1-methylpyridin-1-ium

Systemtic Name: 2-[(Z)-2-bromanyl-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-5-nitro-benzenesulfonate; 1-methylpyridin-1-ium Openeye Name: 2-[(Z)-2-bromo-2-(4-nitro-2-sulfonato-phenyl)vinyl]-5-nitro-benzenesulfonate; 1-methylpyridin-1-ium CAS Name: 2-[(Z)-2-bromo-2-(4-nitro-2-sulfonatophenyl)ethenyl]-5-nitrobenzenesulfonate; 1-methylpyridin-1-ium IUPAC Name: 2-[(Z)-2-bromo-2-(4-nitro-2-sulfonatophenyl)ethenyl]-5-nitrobenzenesulfonate; 1-methylpyridin-1-ium Traditional Name: 2-[(Z)-2-bromo-2-(4-nitro-2-sulfonato-phenyl)vinyl]-5-nitro-besylate; 1-methylpyridin-1-ium Formula: C26H23BrN4O10S2 MolecularWeight: 695.51562

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1.C[N+]1=CC=CC=C1.C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])C=C(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])Br

Isomeric SMILES

C[N+]1=CC=CC=C1.C[N+]1=CC=CC=C1.C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])/C=C(/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])\Br

InChI

InChI=1S/C14H9BrN2O10S2.2C6H8N/c15-12(11-4-3-10(17(20)21)7-14(11)29(25,26)27)5-8-1-2-9(16(18)19)6-13(8)28(22,23)24;2*1-7-5-3-2-4-6-7/h1-7H,(H,22,23,24)(H,25,26,27);2*2-6H,1H3/q;2*+1/p-2/b12-5-;;