[(Z)-4-methoxy-2-(4-methylsulfonylphenyl)-4-oxidanylidene-3-phenyl-but-2-enyl] 6-nitrooxyhexanoate

Systemtic Name: [(Z)-4-methoxy-2-(4-methylsulfonylphenyl)-4-oxidanylidene-3-phenyl-but-2-enyl] 6-nitrooxyhexanoate Openeye Name: [(Z)-4-methoxy-2-(4-methylsulfonylphenyl)-4-oxo-3-phenyl-but-2-enyl] 6-nitrooxyhexanoate CAS Name: 6-nitrooxyhexanoic acid [(Z)-4-methoxy-2-(4-methylsulfonylphenyl)-4-oxo-3-phenylbut-2-enyl] ester IUPAC Name: [(Z)-4-methoxy-2-(4-methylsulfonylphenyl)-4-oxo-3-phenylbut-2-enyl] 6-nitrooxyhexanoate Traditional Name: 6-nitrooxyhexanoic acid [(Z)-4-keto-2-(4-mesylphenyl)-4-methoxy-3-phenyl-but-2-enyl] ester Formula: C24H27NO9S MolecularWeight: 505.53748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(COC(=O)CCCCCO[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=C(\COC(=O)CCCCCO[N+](=O)[O-])/C1=CC=C(C=C1)S(=O)(=O)C)/C2=CC=CC=C2

InChI

InChI=1S/C24H27NO9S/c1-32-24(27)23(19-9-5-3-6-10-19)21(18-12-14-20(15-13-18)35(2,30)31)17-33-22(26)11-7-4-8-16-34-25(28)29/h3,5-6,9-10,12-15H,4,7-8,11,16-17H2,1-2H3/b23-21+