1-[4-(3-nitrooxypropylsulfanyl)phenyl]carbonyloxyethyl 2-acetyloxybenzoate

Systemtic Name: 1-[4-(3-nitrooxypropylsulfanyl)phenyl]carbonyloxyethyl 2-acetyloxybenzoate Openeye Name: 1-[4-(3-nitrooxypropylsulfanyl)benzoyl]oxyethyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid 1-[[4-(3-nitrooxypropylthio)phenyl]-oxomethoxy]ethyl ester IUPAC Name: 1-[4-(3-nitrooxypropylsulfanyl)benzoyl]oxyethyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid 1-[4-(3-nitrooxypropylthio)benzoyl]oxyethyl ester Formula: C21H21NO9S MolecularWeight: 463.45774

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=CC=C(C=C1)SCCCO[N+](=O)[O-])OC(=O)C2=CC=CC=C2OC(=O)C

Isomeric SMILES

CC(OC(=O)C1=CC=C(C=C1)SCCCO[N+](=O)[O-])OC(=O)C2=CC=CC=C2OC(=O)C

InChI

InChI=1S/C21H21NO9S/c1-14(23)29-19-7-4-3-6-18(19)21(25)31-15(2)30-20(24)16-8-10-17(11-9-16)32-13-5-12-28-22(26)27/h3-4,6-11,15H,5,12-13H2,1-2H3