bis(1-adamantylmethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(1-adamantylmethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Openeye Name: bis(1-adamantylmethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate CAS Name: 4,6-dinitro-5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(1-adamantylmethyl) ester IUPAC Name: bis(1-adamantylmethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Traditional Name: 4,6-dinitro-5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(1-adamantylmethyl) ester Formula: C30H36N2O11S MolecularWeight: 632.67864

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=C(C(=C4[N+](=O)[O-])SOOO)[N+](=O)[O-])C(=O)OCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=C(C(=C4[N+](=O)[O-])SOOO)[N+](=O)[O-])C(=O)OCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H36N2O11S/c33-27(40-14-29-8-16-1-17(9-29)3-18(2-16)10-29)22-7-23(25(32(37)38)26(44-43-42-39)24(22)31(35)36)28(34)41-15-30-11-19-4-20(12-30)6-21(5-19)13-30/h7,16-21,39H,1-6,8-15H2