6-[3-isocyanato-4-(isocyanatomethyl)phenyl]hexane-1,1,1-triol

Systemtic Name: 6-[3-isocyanato-4-(isocyanatomethyl)phenyl]hexane-1,1,1-triol Openeye Name: 6-[3-isocyanato-4-(isocyanatomethyl)phenyl]hexane-1,1,1-triol CAS Name: 6-[3-isocyanato-4-(isocyanatomethyl)phenyl]hexane-1,1,1-triol IUPAC Name: 6-[3-isocyanato-4-(isocyanatomethyl)phenyl]hexane-1,1,1-triol Traditional Name: 6-[3-isocyanato-4-(isocyanatomethyl)phenyl]hexane-1,1,1-triol Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCCCCC(O)(O)O)N=C=O)CN=C=O

Isomeric SMILES

C1=CC(=C(C=C1CCCCCC(O)(O)O)N=C=O)CN=C=O

InChI

InChI=1S/C15H18N2O5/c18-10-16-9-13-6-5-12(8-14(13)17-11-19)4-2-1-3-7-15(20,21)22/h5-6,8,20-22H,1-4,7,9H2