[4-[[4-acetyloxy-2-(nitrooxymethyl)phenyl]disulfanyl]-3-(nitrooxymethyl)phenyl] ethanoate

Systemtic Name: [4-[[4-acetyloxy-2-(nitrooxymethyl)phenyl]disulfanyl]-3-(nitrooxymethyl)phenyl] ethanoate Openeye Name: [4-[[4-acetoxy-2-(nitrooxymethyl)phenyl]disulfanyl]-3-(nitrooxymethyl)phenyl] acetate CAS Name: acetic acid [4-[[4-acetyloxy-2-(nitrooxymethyl)phenyl]disulfanyl]-3-(nitrooxymethyl)phenyl] ester IUPAC Name: [4-[[4-acetyloxy-2-(nitrooxymethyl)phenyl]disulfanyl]-3-(nitrooxymethyl)phenyl] acetate Traditional Name: acetic acid [4-[[4-acetoxy-2-(nitrooxymethyl)phenyl]disulfanyl]-3-(nitrooxymethyl)phenyl] ester Formula: C18H16N2O10S2 MolecularWeight: 484.45704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)OC(=O)C)CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)OC(=O)C)CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O10S2/c1-11(21)29-15-3-5-17(13(7-15)9-27-19(23)24)31-32-18-6-4-16(30-12(2)22)8-14(18)10-28-20(25)26/h3-8H,9-10H2,1-2H3