tetramethyl (1E,5Z)-3-bromanyl-7-butyl-cycloocta-1,5-diene-1,2,5,6-tetracarboxylate

Systemtic Name: tetramethyl (1E,5Z)-3-bromanyl-7-butyl-cycloocta-1,5-diene-1,2,5,6-tetracarboxylate Openeye Name: tetramethyl (1E,5Z)-3-bromo-7-butyl-cycloocta-1,5-diene-1,2,5,6-tetracarboxylate CAS Name: (1E,5Z)-3-bromo-7-butylcycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl (1E,5Z)-3-bromo-7-butylcycloocta-1,5-diene-1,2,5,6-tetracarboxylate Traditional Name: (1E,5Z)-3-bromo-7-butyl-cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid tetramethyl ester Formula: C20H27BrO8 MolecularWeight: 475.32758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=C(C(CC(=C1C(=O)OC)C(=O)OC)Br)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC/1C/C(=C(\C(C/C(=C1/C(=O)OC)/C(=O)OC)Br)/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C20H27BrO8/c1-6-7-8-11-9-12(17(22)26-2)16(20(25)29-5)14(21)10-13(18(23)27-3)15(11)19(24)28-4/h11,14H,6-10H2,1-5H3/b15-13-,16-12-