[4-(nitrooxymethyl)cyclohexyl]methyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate

Systemtic Name: [4-(nitrooxymethyl)cyclohexyl]methyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate Openeye Name: [4-(nitrooxymethyl)cyclohexyl]methyl 2-(5-benzoyl-2-thienyl)propanoate CAS Name: 2-(5-benzoyl-2-thiophenyl)propanoic acid [4-(nitrooxymethyl)cyclohexyl]methyl ester IUPAC Name: [4-(nitrooxymethyl)cyclohexyl]methyl 2-(5-benzoylthiophen-2-yl)propanoate Traditional Name: 2-(5-benzoyl-2-thienyl)propionic acid [4-(nitrooxymethyl)cyclohexyl]methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)OCC3CCC(CC3)CO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)OCC3CCC(CC3)CO[N+](=O)[O-]

InChI

InChI=1S/C22H25NO6S/c1-15(19-11-12-20(30-19)21(24)18-5-3-2-4-6-18)22(25)28-13-16-7-9-17(10-8-16)14-29-23(26)27/h2-6,11-12,15-17H,7-10,13-14H2,1H3