1,2-bis[4-[(E)-5-isocyanatopent-3-enyl]cyclohexyl]cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 1,2-bis[4-[(E)-5-isocyanatopent-3-enyl]cyclohexyl]cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 1,2-bis[4-[(E)-5-isocyanatopent-3-enyl]cyclohexyl]cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 1,2-bis[4-[(E)-5-isocyanatopent-3-enyl]cyclohexyl]cyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 1,2-bis[4-[(E)-5-isocyanatopent-3-enyl]cyclohexyl]cyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 1,2-bis[4-[(E)-5-isocyanatopent-3-enyl]cyclohexyl]cyclohex-4-ene-1,2-dicarboxylic acid Formula: C32H44N2O6 MolecularWeight: 552.70156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CCN=C=O)C2(CC=CCC2(C3CCC(CC3)CCC=CCN=C=O)C(=O)O)C(=O)O

Isomeric SMILES

C1C(CCC(C1)C2(C(CC=CC2)(C(=O)O)C3CCC(CC3)CC/C=C/CN=C=O)C(=O)O)CC/C=C/CN=C=O

InChI

InChI=1S/C32H44N2O6/c35-23-33-21-7-1-3-9-25-11-15-27(16-12-25)31(29(37)38)19-5-6-20-32(31,30(39)40)28-17-13-26(14-18-28)10-4-2-8-22-34-24-36/h1-2,5-8,25-28H,3-4,9-22H2,(H,37,38)(H,39,40)/b7-1+,8-2+