S-(2,3-dinitrooxypropyl) 2-(6-methoxynaphthalen-2-yl)propanethioate

Systemtic Name: S-(2,3-dinitrooxypropyl) 2-(6-methoxynaphthalen-2-yl)propanethioate Openeye Name: S-(2,3-dinitrooxypropyl) 2-(6-methoxy-2-naphthyl)propanethioate CAS Name: 2-(6-methoxy-2-naphthalenyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester IUPAC Name: S-(2,3-dinitrooxypropyl) 2-(6-methoxynaphthalen-2-yl)propanethioate Traditional Name: 2-(6-methoxy-2-naphthyl)propanethioic acid S-(2,3-dinitrooxypropyl) ester Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O8S/c1-11(12-3-4-14-8-15(25-2)6-5-13(14)7-12)17(20)28-10-16(27-19(23)24)9-26-18(21)22/h3-8,11,16H,9-10H2,1-2H3