O4,O4-diethyl O1-methyl (E)-9-(cyclohexen-1-yl)-7-oxidanylidene-non-1-en-8-yne-1,4,4-tricarboxylate

Systemtic Name: O4,O4-diethyl O1-methyl (E)-9-(cyclohexen-1-yl)-7-oxidanylidene-non-1-en-8-yne-1,4,4-tricarboxylate Openeye Name: O4,O4-diethyl O1-methyl (E)-9-(cyclohexen-1-yl)-7-oxo-non-1-en-8-yne-1,4,4-tricarboxylate CAS Name: (E)-9-(1-cyclohexenyl)-7-oxonon-1-en-8-yne-1,4,4-tricarboxylic acid O4,O4-diethyl ester O1-methyl ester IUPAC Name: 4-O,4-O-diethyl 1-O-methyl (E)-9-(cyclohexen-1-yl)-7-oxonon-1-en-8-yne-1,4,4-tricarboxylate Traditional Name: (E)-9-(cyclohexen-1-yl)-7-keto-non-1-en-8-yne-1,4,4-tricarboxylic acid O4,O4-diethyl ester O1-methyl ester Formula: C23H30O7 MolecularWeight: 418.4801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)C#CC1=CCCCC1)(CC=CC(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC(=O)C#CC1=CCCCC1)(C/C=C/C(=O)OC)C(=O)OCC

InChI

InChI=1S/C23H30O7/c1-4-29-21(26)23(22(27)30-5-2,16-9-12-20(25)28-3)17-15-19(24)14-13-18-10-7-6-8-11-18/h9-10,12H,4-8,11,15-17H2,1-3H3/b12-9+