[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] 2-(2-nitrososulfanyl-2-adamantyl)ethanoate

Systemtic Name: [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] 2-(2-nitrososulfanyl-2-adamantyl)ethanoate Openeye Name: [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] 2-(2-nitrososulfanyl-2-adamantyl)acetate CAS Name: 2-[2-(nitrosothio)-2-adamantyl]acetic acid [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] ester IUPAC Name: [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] 2-(2-nitrososulfanyl-2-adamantyl)acetate Traditional Name: 2-[2-(nitrosothio)-2-adamantyl]acetic acid [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] ester Formula: C17H24N4O12S MolecularWeight: 508.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC(=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])SN=O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])SN=O

InChI

InChI=1S/C17H24N4O12S/c22-15(6-17(34-18-23)13-2-11-1-12(4-13)5-14(17)3-11)30-7-16(8-31-19(24)25,9-32-20(26)27)10-33-21(28)29/h11-14H,1-10H2