O9,O9-diethyl O1-methyl (1Z)-11-bromanyl-5-methoxy-1-methyl-dodeca-1,11-dien-6-yne-1,9,9-tricarboxylate

Systemtic Name: O9,O9-diethyl O1-methyl (1Z)-11-bromanyl-5-methoxy-1-methyl-dodeca-1,11-dien-6-yne-1,9,9-tricarboxylate Openeye Name: O9,O9-diethyl O1-methyl (1Z)-11-bromo-5-methoxy-1-methyl-dodeca-1,11-dien-6-yne-1,9,9-tricarboxylate CAS Name: (1Z)-11-bromo-5-methoxy-1-methyldodeca-1,11-dien-6-yne-1,9,9-tricarboxylic acid O9,O9-diethyl ester O1-methyl ester IUPAC Name: 9-O,9-O-diethyl 1-O-methyl (1Z)-11-bromo-5-methoxy-1-methyldodeca-1,11-dien-6-yne-1,9,9-tricarboxylate Traditional Name: (1Z)-11-bromo-5-methoxy-1-methyl-dodeca-1,11-dien-6-yne-1,9,9-tricarboxylic acid O9,O9-diethyl ester O1-methyl ester Formula: C22H31BrO7 MolecularWeight: 487.38134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CC(CCC=C(C)C(=O)OC)OC)(CC(=C)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#CC(CC/C=C(/C)\C(=O)OC)OC)(CC(=C)Br)C(=O)OCC

InChI

InChI=1S/C22H31BrO7/c1-7-29-20(25)22(15-17(4)23,21(26)30-8-2)14-10-13-18(27-5)12-9-11-16(3)19(24)28-6/h11,18H,4,7-9,12,14-15H2,1-3,5-6H3/b16-11-