1-[2-(2,4-dinitrophenyl)sulfanylethynyl]adamantane

Systemtic Name: 1-[2-(2,4-dinitrophenyl)sulfanylethynyl]adamantane Openeye Name: 1-[2-(2,4-dinitrophenyl)sulfanylethynyl]adamantane CAS Name: 1-[2-[(2,4-dinitrophenyl)thio]ethynyl]adamantane IUPAC Name: 1-[2-(2,4-dinitrophenyl)sulfanylethynyl]adamantane Traditional Name: 1-[2-[(2,4-dinitrophenyl)thio]ethynyl]adamantane Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C#CSC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C#CSC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c21-19(22)15-1-2-17(16(8-15)20(23)24)25-4-3-18-9-12-5-13(10-18)7-14(6-12)11-18/h1-2,8,12-14H,5-7,9-11H2