1,6-diisocyanatohexane; 1,5-diisocyanatonaphthalene; hexane-1,6-diol; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: 1,6-diisocyanatohexane; 1,5-diisocyanatonaphthalene; hexane-1,6-diol; 2-(2-hydroxyethyloxy)ethanol Openeye Name: 1,6-diisocyanatohexane; 1,5-diisocyanatonaphthalene; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol CAS Name: 1,6-diisocyanatohexane; 1,5-diisocyanatonaphthalene; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol IUPAC Name: 1,6-diisocyanatohexane; 1,5-diisocyanatonaphthalene; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol Traditional Name: 1,6-diisocyanatohexane; 1,5-diisocyanatonaphthalene; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol Formula: C30H42N4O9 MolecularWeight: 602.67588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O.C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(COCCO)O

Isomeric SMILES

C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O.C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(COCCO)O

InChI

InChI=1S/C12H6N2O2.C8H12N2O2.C6H14O2.C4H10O3/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16;11-7-9-5-3-1-2-4-6-10-8-12;7-5-3-1-2-4-6-8;5-1-3-7-4-2-6/h1-6H;1-6H2;7-8H,1-6H2;5-6H,1-4H2