[4-(2,3-dinitrooxypropylsulfanyl)phenyl]carbonyloxymethyl 2-acetyloxybenzoate

Systemtic Name: [4-(2,3-dinitrooxypropylsulfanyl)phenyl]carbonyloxymethyl 2-acetyloxybenzoate Openeye Name: [4-(2,3-dinitrooxypropylsulfanyl)benzoyl]oxymethyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [[4-(2,3-dinitrooxypropylthio)phenyl]-oxomethoxy]methyl ester IUPAC Name: [4-(2,3-dinitrooxypropylsulfanyl)benzoyl]oxymethyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [4-(2,3-dinitrooxypropylthio)benzoyl]oxymethyl ester Formula: C20H18N2O12S MolecularWeight: 510.42812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O12S/c1-13(23)33-18-5-3-2-4-17(18)20(25)31-12-30-19(24)14-6-8-16(9-7-14)35-11-15(34-22(28)29)10-32-21(26)27/h2-9,15H,10-12H2,1H3