O10,O10-diethyl O1-methyl 12-bromanyl-6-methoxy-tridec-12-en-1,7-diyne-1,10,10-tricarboxylate

Systemtic Name: O10,O10-diethyl O1-methyl 12-bromanyl-6-methoxy-tridec-12-en-1,7-diyne-1,10,10-tricarboxylate Openeye Name: O10,O10-diethyl O1-methyl 12-bromo-6-methoxy-tridec-12-en-1,7-diyne-1,10,10-tricarboxylate CAS Name: 12-bromo-6-methoxytridec-12-en-1,7-diyne-1,10,10-tricarboxylic acid O10,O10-diethyl ester O1-methyl ester IUPAC Name: 10-O,10-O-diethyl 1-O-methyl 12-bromo-6-methoxytridec-12-en-1,7-diyne-1,10,10-tricarboxylate Traditional Name: 12-bromo-6-methoxy-tridec-12-en-1,7-diyne-1,10,10-tricarboxylic acid O10,O10-diethyl ester O1-methyl ester Formula: C22H29BrO7 MolecularWeight: 485.36546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrO7/c1-6-29-20(25)22(16-17(3)23,21(26)30-7-2)15-11-13-18(27-4)12-9-8-10-14-19(24)28-5/h18H,3,6-9,12,15-16H2,1-2,4-5H3