3,3,8,8-tetramethyl-7-phenylsulfanyl-1,4-diazocane-2,5-dione

Systemtic Name: 3,3,8,8-tetramethyl-7-phenylsulfanyl-1,4-diazocane-2,5-dione Openeye Name: 3,3,8,8-tetramethyl-7-phenylsulfanyl-1,4-diazocane-2,5-dione CAS Name: 3,3,8,8-tetramethyl-7-(phenylthio)-1,4-diazocane-2,5-dione IUPAC Name: 3,3,8,8-tetramethyl-7-phenylsulfanyl-1,4-diazocane-2,5-dione Traditional Name: 3,3,8,8-tetramethyl-7-(phenylthio)-1,4-diazocane-2,5-quinone Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)NC(C(=O)N1)(C)C)SC2=CC=CC=C2)C

Isomeric SMILES

CC1(C(CC(=O)NC(C(=O)N1)(C)C)SC2=CC=CC=C2)C

InChI

InChI=1S/C16H22N2O2S/c1-15(2)12(21-11-8-6-5-7-9-11)10-13(19)17-16(3,4)14(20)18-15/h5-9,12H,10H2,1-4H3,(H,17,19)(H,18,20)