[(E)-3-phenylbut-2-enyl] 2-(4-methylsulfonylphenyl)-6-nitrooxy-4-oxidanylidene-hexanoate

Systemtic Name: [(E)-3-phenylbut-2-enyl] 2-(4-methylsulfonylphenyl)-6-nitrooxy-4-oxidanylidene-hexanoate Openeye Name: [(E)-3-phenylbut-2-enyl] 2-(4-methylsulfonylphenyl)-6-nitrooxy-4-oxo-hexanoate CAS Name: 2-(4-methylsulfonylphenyl)-6-nitrooxy-4-oxohexanoic acid [(E)-3-phenylbut-2-enyl] ester IUPAC Name: [(E)-3-phenylbut-2-enyl] 2-(4-methylsulfonylphenyl)-6-nitrooxy-4-oxohexanoate Traditional Name: 4-keto-2-(4-mesylphenyl)-6-nitrooxy-hexanoic acid [(E)-3-phenylbut-2-enyl] ester Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C(CC(=O)CCO[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO8S/c1-17(18-6-4-3-5-7-18)12-14-31-23(26)22(16-20(25)13-15-32-24(27)28)19-8-10-21(11-9-19)33(2,29)30/h3-12,22H,13-16H2,1-2H3/b17-12+