1,2-bis[4-(3-isocyanatopropyl)cyclohexyl]cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: 1,2-bis[4-(3-isocyanatopropyl)cyclohexyl]cyclohex-4-ene-1,2-dicarboxylate Openeye Name: 1,2-bis[4-(3-isocyanatopropyl)cyclohexyl]cyclohex-4-ene-1,2-dicarboxylate CAS Name: 1,2-bis[4-(3-isocyanatopropyl)cyclohexyl]cyclohex-4-ene-1,2-dicarboxylate IUPAC Name: 1,2-bis[4-(3-isocyanatopropyl)cyclohexyl]cyclohex-4-ene-1,2-dicarboxylate Traditional Name: 1,2-bis[4-(3-isocyanatopropyl)cyclohexyl]cyclohex-4-ene-1,2-dicarboxylate Formula: C28H38N2O6-2 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCCN=C=O)C2(CC=CCC2(C3CCC(CC3)CCCN=C=O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CCCN=C=O)C2(CC=CCC2(C3CCC(CC3)CCCN=C=O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C28H40N2O6/c31-19-29-17-3-5-21-7-11-23(12-8-21)27(25(33)34)15-1-2-16-28(27,26(35)36)24-13-9-22(10-14-24)6-4-18-30-20-32/h1-2,21-24H,3-18H2,(H,33,34)(H,35,36)/p-2