2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)vinyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]-1-imidazolyl]ethyl ester IUPAC Name: 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)vinyl]imidazol-1-yl]ethyl ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CN=C2C=CC3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CN=C2/C=C/C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O5S/c1-20-7-14-24(15-8-20)35(32,33)34-18-17-28-25(27-19-26(28)29(30)31)16-11-21-9-12-23(13-10-21)22-5-3-2-4-6-22/h2-16,19H,17-18H2,1H3/b16-11+