3-[2,3-bis(3-oxidanylpropoxy)propoxy]propan-1-ol; 1,3-diisocyanato-2-methyl-benzene

Systemtic Name: 3-[2,3-bis(3-oxidanylpropoxy)propoxy]propan-1-ol; 1,3-diisocyanato-2-methyl-benzene Openeye Name: 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol; 1,3-diisocyanato-2-methyl-benzene CAS Name: 3-[2,3-bis(3-hydroxypropoxy)propoxy]-1-propanol; 1,3-diisocyanato-2-methylbenzene IUPAC Name: 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol; 1,3-diisocyanato-2-methylbenzene Traditional Name: 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol; 1,3-diisocyanato-2-methyl-benzene Formula: C21H32N2O8 MolecularWeight: 440.48738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=O)N=C=O.C(CO)COCC(COCCCO)OCCCO

Isomeric SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.C(CO)COCC(COCCCO)OCCCO

InChI

InChI=1S/C12H26O6.C9H6N2O2/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14;1-7-8(10-5-12)3-2-4-9(7)11-6-13/h12-15H,1-11H2;2-4H,1H3