6,6-diisocyanato-3,3-dimethyl-1-phenylsulfanyl-cyclohexa-1,4-diene

Systemtic Name: 6,6-diisocyanato-3,3-dimethyl-1-phenylsulfanyl-cyclohexa-1,4-diene Openeye Name: 6,6-diisocyanato-3,3-dimethyl-1-phenylsulfanyl-cyclohexa-1,4-diene CAS Name: 6,6-diisocyanato-3,3-dimethyl-1-(phenylthio)cyclohexa-1,4-diene IUPAC Name: 6,6-diisocyanato-3,3-dimethyl-1-phenylsulfanylcyclohexa-1,4-diene Traditional Name: 6,6-diisocyanato-3,3-dimethyl-1-(phenylthio)cyclohexa-1,4-diene Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)SC2=CC=CC=C2)(N=C=O)N=C=O)C

Isomeric SMILES

CC1(C=CC(C(=C1)SC2=CC=CC=C2)(N=C=O)N=C=O)C

InChI

InChI=1S/C16H14N2O2S/c1-15(2)8-9-16(17-11-19,18-12-20)14(10-15)21-13-6-4-3-5-7-13/h3-10H,1-2H3