[3-(hydroxymethyl)-2-(3-isocyanato-4-methyl-phenyl)-1,5-bis(oxidanyl)pentan-2-yl] carbamate

Systemtic Name: [3-(hydroxymethyl)-2-(3-isocyanato-4-methyl-phenyl)-1,5-bis(oxidanyl)pentan-2-yl] carbamate Openeye Name: [4-hydroxy-1,2-bis(hydroxymethyl)-1-(3-isocyanato-4-methyl-phenyl)butyl] carbamate CAS Name: carbamic acid [1,5-dihydroxy-3-(hydroxymethyl)-2-(3-isocyanato-4-methylphenyl)pentan-2-yl] ester IUPAC Name: [1,5-dihydroxy-3-(hydroxymethyl)-2-(3-isocyanato-4-methylphenyl)pentan-2-yl] carbamate Traditional Name: carbamic acid [4-hydroxy-1-(3-isocyanato-4-methyl-phenyl)-1,2-dimethylol-butyl] ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CO)(C(CCO)CO)OC(=O)N)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(CO)(C(CCO)CO)OC(=O)N)N=C=O

InChI

InChI=1S/C15H20N2O6/c1-10-2-3-11(6-13(10)17-9-21)15(8-20,23-14(16)22)12(7-19)4-5-18/h2-3,6,12,18-20H,4-5,7-8H2,1H3,(H2,16,22)