1,6-diisocyanatohexane; hexanedioic acid; 3-(3-oxidanylpropoxy)propan-1-ol

Systemtic Name: 1,6-diisocyanatohexane; hexanedioic acid; 3-(3-oxidanylpropoxy)propan-1-ol Openeye Name: adipic acid; 1,6-diisocyanatohexane; 3-(3-hydroxypropoxy)propan-1-ol CAS Name: 1,6-diisocyanatohexane; hexanedioic acid; 3-(3-hydroxypropoxy)-1-propanol IUPAC Name: 1,6-diisocyanatohexane; hexanedioic acid; 3-(3-hydroxypropoxy)propan-1-ol Traditional Name: adipic acid; 1,6-diisocyanatohexane; 3-(3-hydroxypropoxy)propan-1-ol Formula: C36H60N6O13 MolecularWeight: 784.894

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN=C=O)CCN=C=O.C(CCCN=C=O)CCN=C=O.C(CCCN=C=O)CCN=C=O.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO

Isomeric SMILES

C(CCCN=C=O)CCN=C=O.C(CCCN=C=O)CCN=C=O.C(CCCN=C=O)CCN=C=O.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO

InChI

InChI=1S/3C8H12N2O2.C6H10O4.C6H14O3/c3*11-7-9-5-3-1-2-4-6-10-8-12;7-5(8)3-1-2-4-6(9)10;7-3-1-5-9-6-2-4-8/h3*1-6H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2