5,5-diisocyanato-6,6-dimethoxy-2-[(phenylmethylsulfanyl)methyl]cyclohexa-1,3-diene

Systemtic Name: 5,5-diisocyanato-6,6-dimethoxy-2-[(phenylmethylsulfanyl)methyl]cyclohexa-1,3-diene Openeye Name: 2-(benzylsulfanylmethyl)-5,5-diisocyanato-6,6-dimethoxy-cyclohexa-1,3-diene CAS Name: 5,5-diisocyanato-6,6-dimethoxy-2-[(phenylmethylthio)methyl]cyclohexa-1,3-diene IUPAC Name: 2-(benzylsulfanylmethyl)-5,5-diisocyanato-6,6-dimethoxycyclohexa-1,3-diene Traditional Name: 2-[(benzylthio)methyl]-5,5-diisocyanato-6,6-dimethoxy-cyclohexa-1,3-diene Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=C(C=CC1(N=C=O)N=C=O)CSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1(C=C(C=CC1(N=C=O)N=C=O)CSCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H18N2O4S/c1-23-18(24-2)10-16(8-9-17(18,19-13-21)20-14-22)12-25-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3