benzenesulfonate; 1-[2-(2-ethoxyphenyl)-2-prop-2-enoxy-ethyl]-3-[(2-nitrophenyl)methyl]imidazol-3-ium

Systemtic Name: benzenesulfonate; 1-[2-(2-ethoxyphenyl)-2-prop-2-enoxy-ethyl]-3-[(2-nitrophenyl)methyl]imidazol-3-ium Openeye Name: 1-[2-allyloxy-2-(2-ethoxyphenyl)ethyl]-3-[(2-nitrophenyl)methyl]imidazol-3-ium; benzenesulfonate CAS Name: benzenesulfonate; 1-[2-(2-ethoxyphenyl)-2-prop-2-enoxyethyl]-3-[(2-nitrophenyl)methyl]imidazol-3-ium IUPAC Name: benzenesulfonate; 1-[2-(2-ethoxyphenyl)-2-prop-2-enoxyethyl]-3-[(2-nitrophenyl)methyl]imidazol-3-ium Traditional Name: 1-(2-allyloxy-2-o-phenetyl-ethyl)-3-(2-nitrobenzyl)imidazol-3-ium besylate Formula: C29H31N3O7S MolecularWeight: 565.63734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(CN2C=C[N+](=C2)CC3=CC=CC=C3[N+](=O)[O-])OCC=C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C(CN2C=C[N+](=C2)CC3=CC=CC=C3[N+](=O)[O-])OCC=C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H26N3O4.C6H6O3S/c1-3-15-30-23(20-10-6-8-12-22(20)29-4-2)17-25-14-13-24(18-25)16-19-9-5-7-11-21(19)26(27)28;7-10(8,9)6-4-2-1-3-5-6/h3,5-14,18,23H,1,4,15-17H2,2H3;1-5H,(H,7,8,9)/q+1;/p-1