methyl sulfate; 1-methyl-4-[(E)-2-[2,3,5,6-tetrakis(bromanyl)-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium

Systemtic Name: methyl sulfate; 1-methyl-4-[(E)-2-[2,3,5,6-tetrakis(bromanyl)-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium Openeye Name: methyl sulfate; 1-methyl-4-[(E)-2-[2,3,5,6-tetrabromo-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]vinyl]pyridin-1-ium CAS Name: methyl sulfate; 1-methyl-4-[(E)-2-[2,3,5,6-tetrabromo-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]phenyl]ethenyl]pyridin-1-ium IUPAC Name: methyl sulfate; 1-methyl-4-[(E)-2-[2,3,5,6-tetrabromo-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium Traditional Name: methyl sulfate; 1-methyl-4-[(E)-2-[2,3,5,6-tetrabromo-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]vinyl]pyridin-1-ium Formula: C24H24Br4N2O8S2 MolecularWeight: 852.20196

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=C(C(=C(C(=C2Br)Br)C=CC3=CC=[N+](C=C3)C)Br)Br.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=C(C(=C(C(=C2Br)Br)/C=C/C3=CC=[N+](C=C3)C)Br)Br.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C22H18Br4N2.2CH4O4S/c1-27-11-7-15(8-12-27)3-5-17-19(23)21(25)18(22(26)20(17)24)6-4-16-9-13-28(2)14-10-16;2*1-5-6(2,3)4/h3-14H,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2/b5-3+,6-4+;;