1-cyclononyl-2,3-diisocyanato-1,2-bis(methylsulfanyl)cyclononane

Systemtic Name: 1-cyclononyl-2,3-diisocyanato-1,2-bis(methylsulfanyl)cyclononane Openeye Name: 1-cyclononyl-2,3-diisocyanato-1,2-bis(methylsulfanyl)cyclononane CAS Name: 1-cyclononyl-2,3-diisocyanato-1,2-bis(methylthio)cyclononane IUPAC Name: 1-cyclononyl-2,3-diisocyanato-1,2-bis(methylsulfanyl)cyclononane Traditional Name: 1-cyclononyl-2,3-diisocyanato-1,2-bis(methylthio)cyclononane Formula: C22H36N2O2S2 MolecularWeight: 424.66344

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(CCCCCCC(C1(N=C=O)SC)N=C=O)C2CCCCCCCC2

Isomeric SMILES

CSC1(CCCCCCC(C1(N=C=O)SC)N=C=O)C2CCCCCCCC2

InChI

InChI=1S/C22H36N2O2S2/c1-27-21(19-13-9-5-3-4-6-10-14-19)16-12-8-7-11-15-20(23-17-25)22(21,28-2)24-18-26/h19-20H,3-16H2,1-2H3