1,2-bis[(E)-8-isocyanatooct-4-enyl]cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 1,2-bis[(E)-8-isocyanatooct-4-enyl]cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 1,2-bis[(E)-8-isocyanatooct-4-enyl]cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 1,2-bis[(E)-8-isocyanatooct-4-enyl]cyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 1,2-bis[(E)-8-isocyanatooct-4-enyl]cyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 1,2-bis[(E)-8-isocyanatooct-4-enyl]cyclohex-4-ene-1,2-dicarboxylic acid Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1(CCCC=CCCCN=C=O)C(=O)O)(CCCC=CCCCN=C=O)C(=O)O

Isomeric SMILES

C1C(C(CC=C1)(C(=O)O)CCC/C=C/CCCN=C=O)(C(=O)O)CCC/C=C/CCCN=C=O

InChI

InChI=1S/C26H36N2O6/c29-21-27-19-13-7-3-1-5-9-15-25(23(31)32)17-11-12-18-26(25,24(33)34)16-10-6-2-4-8-14-20-28-22-30/h1-4,11-12H,5-10,13-20H2,(H,31,32)(H,33,34)/b3-1+,4-2+