[4-(3-nitrooxypropylsulfinyl)phenyl]carbonyloxymethyl 2-acetyloxybenzoate

Systemtic Name: [4-(3-nitrooxypropylsulfinyl)phenyl]carbonyloxymethyl 2-acetyloxybenzoate Openeye Name: [4-(3-nitrooxypropylsulfinyl)benzoyl]oxymethyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [[4-(3-nitrooxypropylsulfinyl)phenyl]-oxomethoxy]methyl ester IUPAC Name: [4-(3-nitrooxypropylsulfinyl)benzoyl]oxymethyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [4-(3-nitrooxypropylsulfinyl)benzoyl]oxymethyl ester Formula: C20H19NO10S MolecularWeight: 465.43056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)S(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)S(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C20H19NO10S/c1-14(22)31-18-6-3-2-5-17(18)20(24)29-13-28-19(23)15-7-9-16(10-8-15)32(27)12-4-11-30-21(25)26/h2-3,5-10H,4,11-13H2,1H3