bis[(4-isocyanatophenyl)carbonyl] 2-[2,2-bis(oxidanyl)ethyl]hexanedioate

Systemtic Name: bis[(4-isocyanatophenyl)carbonyl] 2-[2,2-bis(oxidanyl)ethyl]hexanedioate Openeye Name: bis(4-isocyanatobenzoyl) 2-(2,2-dihydroxyethyl)hexanedioate CAS Name: 2-(2,2-dihydroxyethyl)hexanedioic acid bis[(4-isocyanatophenyl)-oxomethyl] ester IUPAC Name: bis(4-isocyanatobenzoyl) 2-(2,2-dihydroxyethyl)hexanedioate Traditional Name: 2-(2,2-dihydroxyethyl)adipic acid bis(4-isocyanatobenzoyl) ester Formula: C24H20N2O10 MolecularWeight: 496.423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC(=O)CCCC(CC(O)O)C(=O)OC(=O)C2=CC=C(C=C2)N=C=O)N=C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC(=O)CCCC(CC(O)O)C(=O)OC(=O)C2=CC=C(C=C2)N=C=O)N=C=O

InChI

InChI=1S/C24H20N2O10/c27-13-25-18-8-4-15(5-9-18)22(32)35-21(31)3-1-2-17(12-20(29)30)24(34)36-23(33)16-6-10-19(11-7-16)26-14-28/h4-11,17,20,29-30H,1-3,12H2