(2-nitrophenyl)sulfanyl adamantane-1-carboxylate

Systemtic Name: (2-nitrophenyl)sulfanyl adamantane-1-carboxylate Openeye Name: (2-nitrophenyl)sulfanyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2-nitrophenyl)thio] ester IUPAC Name: (2-nitrophenyl)sulfanyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(2-nitrophenyl)thio] ester Formula: C17H19NO4S MolecularWeight: 333.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OSC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OSC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C17H19NO4S/c19-16(22-23-15-4-2-1-3-14(15)18(20)21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2