(E)-4-[1,2-diisocyanato-5,5-dimethyl-2-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-3-oxidanylidene-cyclohexyl]but-2-enoate

Systemtic Name: (E)-4-[1,2-diisocyanato-5,5-dimethyl-2-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-3-oxidanylidene-cyclohexyl]but-2-enoate Openeye Name: (E)-4-[1,2-diisocyanato-5,5-dimethyl-2-[(E)-3-oxido-3-oxo-prop-1-enyl]-3-oxo-cyclohexyl]but-2-enoate CAS Name: (E)-4-[1,2-diisocyanato-5,5-dimethyl-2-[(E)-3-oxido-3-oxoprop-1-enyl]-3-oxocyclohexyl]-2-butenoate IUPAC Name: (E)-4-[1,2-diisocyanato-5,5-dimethyl-2-[(E)-3-oxido-3-oxoprop-1-enyl]-3-oxocyclohexyl]but-2-enoate Traditional Name: (E)-4-[1,2-diisocyanato-3-keto-2-[(E)-3-keto-3-oxido-prop-1-enyl]-5,5-dimethyl-cyclohexyl]but-2-enoate Formula: C17H16N2O7-2 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1)(CC=CC(=O)[O-])N=C=O)(C=CC(=O)[O-])N=C=O)C

Isomeric SMILES

CC1(CC(=O)C(C(C1)(C/C=C/C(=O)[O-])N=C=O)(/C=C/C(=O)[O-])N=C=O)C

InChI

InChI=1S/C17H18N2O7/c1-15(2)8-12(22)17(19-11-21,7-5-14(25)26)16(9-15,18-10-20)6-3-4-13(23)24/h3-5,7H,6,8-9H2,1-2H3,(H,23,24)(H,25,26)/p-2/b4-3+,7-5+