(Z)-2,3-bis(4-cyclohexyl-6-isocyanato-hexyl)but-2-enedioic acid

Systemtic Name: (Z)-2,3-bis(4-cyclohexyl-6-isocyanato-hexyl)but-2-enedioic acid Openeye Name: (Z)-2,3-bis(4-cyclohexyl-6-isocyanato-hexyl)but-2-enedioic acid CAS Name: (Z)-2,3-bis(4-cyclohexyl-6-isocyanatohexyl)-2-butenedioic acid IUPAC Name: (Z)-2,3-bis(4-cyclohexyl-6-isocyanatohexyl)but-2-enedioic acid Traditional Name: (Z)-2,3-bis(4-cyclohexyl-6-isocyanato-hexyl)but-2-enedioic acid Formula: C30H46N2O6 MolecularWeight: 530.69604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCCC(=C(CCCC(CCN=C=O)C2CCCCC2)C(=O)O)C(=O)O)CCN=C=O

Isomeric SMILES

C1CCC(CC1)C(CCC/C(=C(\CCCC(CCN=C=O)C2CCCCC2)/C(=O)O)/C(=O)O)CCN=C=O

InChI

InChI=1S/C30H46N2O6/c33-21-31-19-17-25(23-9-3-1-4-10-23)13-7-15-27(29(35)36)28(30(37)38)16-8-14-26(18-20-32-22-34)24-11-5-2-6-12-24/h23-26H,1-20H2,(H,35,36)(H,37,38)/b28-27-