[3,3-bis(hydroxymethyl)-5-isocyanato-1-(isocyanatomethyl)cyclohexyl]methanol

Systemtic Name: [3,3-bis(hydroxymethyl)-5-isocyanato-1-(isocyanatomethyl)cyclohexyl]methanol Openeye Name: [3,3-bis(hydroxymethyl)-5-isocyanato-1-(isocyanatomethyl)cyclohexyl]methanol CAS Name: [3,3-bis(hydroxymethyl)-5-isocyanato-1-(isocyanatomethyl)cyclohexyl]methanol IUPAC Name: [3,3-bis(hydroxymethyl)-5-isocyanato-1-(isocyanatomethyl)cyclohexyl]methanol Traditional Name: [5-isocyanato-1-(isocyanatomethyl)-3,3-dimethylol-cyclohexyl]methanol Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(CC1(CN=C=O)CO)(CO)CO)N=C=O

Isomeric SMILES

C1C(CC(CC1(CN=C=O)CO)(CO)CO)N=C=O

InChI

InChI=1S/C12H18N2O5/c15-5-11(4-13-8-18)1-10(14-9-19)2-12(3-11,6-16)7-17/h10,15-17H,1-7H2