3,3-bis(1-isocyanatoethyl)cyclohexa-1,4-diene-1,2-dicarboxylic acid

Systemtic Name: 3,3-bis(1-isocyanatoethyl)cyclohexa-1,4-diene-1,2-dicarboxylic acid Openeye Name: 3,3-bis(1-isocyanatoethyl)cyclohexa-1,4-diene-1,2-dicarboxylic acid CAS Name: 3,3-bis(1-isocyanatoethyl)cyclohexa-1,4-diene-1,2-dicarboxylic acid IUPAC Name: 3,3-bis(1-isocyanatoethyl)cyclohexa-1,4-diene-1,2-dicarboxylic acid Traditional Name: 3,3-bis(1-isocyanatoethyl)cyclohexa-1,4-diene-1,2-dicarboxylic acid Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C=CCC(=C1C(=O)O)C(=O)O)C(C)N=C=O)N=C=O

Isomeric SMILES

CC(C1(C=CCC(=C1C(=O)O)C(=O)O)C(C)N=C=O)N=C=O

InChI

InChI=1S/C14H14N2O6/c1-8(15-6-17)14(9(2)16-7-18)5-3-4-10(12(19)20)11(14)13(21)22/h3,5,8-9H,4H2,1-2H3,(H,19,20)(H,21,22)