S-(2,3-dinitrooxypropyl) 2-[4-(2-methylpropyl)phenyl]propanethioate

Systemtic Name: S-(2,3-dinitrooxypropyl) 2-[4-(2-methylpropyl)phenyl]propanethioate Openeye Name: S-(2,3-dinitrooxypropyl) 2-(4-isobutylphenyl)propanethioate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanethioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) 2-[4-(2-methylpropyl)phenyl]propanethioate Traditional Name: 2-(4-isobutylphenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O7S/c1-11(2)8-13-4-6-14(7-5-13)12(3)16(19)26-10-15(25-18(22)23)9-24-17(20)21/h4-7,11-12,15H,8-10H2,1-3H3