1-nitro-4-(1,3,3,5,5-pentamethylcyclohexyl)oxysulfanyl-benzene

Systemtic Name: 1-nitro-4-(1,3,3,5,5-pentamethylcyclohexyl)oxysulfanyl-benzene Openeye Name: 1-nitro-4-(1,3,3,5,5-pentamethylcyclohexoxy)sulfanyl-benzene CAS Name: 4-nitrobenzenesulfenic acid (1,3,3,5,5-pentamethylcyclohexyl) ester IUPAC Name: 1-nitro-4-(1,3,3,5,5-pentamethylcyclohexyl)oxysulfanylbenzene Traditional Name: 1-nitro-4-[(1,3,3,5,5-pentamethylcyclohexoxy)thio]benzene Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)OSC2=CC=C(C=C2)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(CC(C1)(C)OSC2=CC=C(C=C2)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C17H25NO3S/c1-15(2)10-16(3,4)12-17(5,11-15)21-22-14-8-6-13(7-9-14)18(19)20/h6-9H,10-12H2,1-5H3