3-isothiocyanato-1-(3-isothiocyanatocyclohexa-1,3-dien-1-yl)sulfonyl-cyclohexa-1,3-diene

Systemtic Name: 3-isothiocyanato-1-(3-isothiocyanatocyclohexa-1,3-dien-1-yl)sulfonyl-cyclohexa-1,3-diene Openeye Name: 3-isothiocyanato-1-(3-isothiocyanatocyclohexa-1,3-dien-1-yl)sulfonyl-cyclohexa-1,3-diene CAS Name: 3-isothiocyanato-1-[(3-isothiocyanato-1-cyclohexa-1,3-dienyl)sulfonyl]cyclohexa-1,3-diene IUPAC Name: 3-isothiocyanato-1-(3-isothiocyanatocyclohexa-1,3-dien-1-yl)sulfonylcyclohexa-1,3-diene Traditional Name: 3-isothiocyanato-1-(3-isothiocyanatocyclohexa-1,3-dien-1-yl)sulfonyl-cyclohexa-1,3-diene Formula: C14H12N2O2S3 MolecularWeight: 336.45228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)N=C=S)S(=O)(=O)C2=CC(=CCC2)N=C=S

Isomeric SMILES

C1CC(=CC(=C1)N=C=S)S(=O)(=O)C2=CC(=CCC2)N=C=S

InChI

InChI=1S/C14H12N2O2S3/c17-21(18,13-5-1-3-11(7-13)15-9-19)14-6-2-4-12(8-14)16-10-20/h3-4,7-8H,1-2,5-6H2