[4-(2,6-dimethyl-3-nonyl-pyridin-1-ium-1-yl)phenyl] 2-methylprop-2-enoate; (E)-2-phenylethenesulfonate

Systemtic Name: [4-(2,6-dimethyl-3-nonyl-pyridin-1-ium-1-yl)phenyl] 2-methylprop-2-enoate; (E)-2-phenylethenesulfonate Openeye Name: [4-(2,6-dimethyl-3-nonyl-pyridin-1-ium-1-yl)phenyl] 2-methylprop-2-enoate; (E)-2-phenylethenesulfonate CAS Name: 2-methyl-2-propenoic acid [4-(2,6-dimethyl-3-nonyl-1-pyridin-1-iumyl)phenyl] ester; (E)-2-phenylethenesulfonate IUPAC Name: [4-(2,6-dimethyl-3-nonylpyridin-1-ium-1-yl)phenyl] 2-methylprop-2-enoate; (E)-2-phenylethenesulfonate Traditional Name: 2-methylacrylic acid [4-(2,6-dimethyl-3-nonyl-pyridin-1-ium-1-yl)phenyl] ester; (E)-2-phenylethenesulfonate Formula: C34H43NO5S MolecularWeight: 577.77392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C([N+](=C(C=C1)C)C2=CC=C(C=C2)OC(=O)C(=C)C)C.C1=CC=C(C=C1)C=CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=C([N+](=C(C=C1)C)C2=CC=C(C=C2)OC(=O)C(=C)C)C.C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-]

InChI

InChI=1S/C26H36NO2.C8H8O3S/c1-6-7-8-9-10-11-12-13-23-15-14-21(4)27(22(23)5)24-16-18-25(19-17-24)29-26(28)20(2)3;9-12(10,11)7-6-8-4-2-1-3-5-8/h14-19H,2,6-13H2,1,3-5H3;1-7H,(H,9,10,11)/q+1;/p-1/b;7-6+