[(Z)-2-(4-methylsulfonylphenyl)-4-oxidanyl-3-phenyl-but-2-enyl] 4-(nitrooxymethyl)benzoate

Systemtic Name: [(Z)-2-(4-methylsulfonylphenyl)-4-oxidanyl-3-phenyl-but-2-enyl] 4-(nitrooxymethyl)benzoate Openeye Name: [(Z)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenyl-but-2-enyl] 4-(nitrooxymethyl)benzoate CAS Name: 4-(nitrooxymethyl)benzoic acid [(Z)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenylbut-2-enyl] ester IUPAC Name: [(Z)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenylbut-2-enyl] 4-(nitrooxymethyl)benzoate Traditional Name: 4-(nitrooxymethyl)benzoic acid [(Z)-4-hydroxy-2-(4-mesylphenyl)-3-phenyl-but-2-enyl] ester Formula: C25H23NO8S MolecularWeight: 497.51702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(CO)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(/CO)\C2=CC=CC=C2)/COC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

InChI

InChI=1S/C25H23NO8S/c1-35(31,32)22-13-11-20(12-14-22)24(23(15-27)19-5-3-2-4-6-19)17-33-25(28)21-9-7-18(8-10-21)16-34-26(29)30/h2-14,27H,15-17H2,1H3/b24-23-