tert-butyl 5-[(E)-3-bromanyl-2-methyl-prop-1-enyl]-2-(7-oxidanylidene-2-prop-1-en-2-yl-hept-5-ynyl)furan-3-carboxylate

Systemtic Name: tert-butyl 5-[(E)-3-bromanyl-2-methyl-prop-1-enyl]-2-(7-oxidanylidene-2-prop-1-en-2-yl-hept-5-ynyl)furan-3-carboxylate Openeye Name: tert-butyl 5-[(E)-3-bromo-2-methyl-prop-1-enyl]-2-(2-isopropenyl-7-oxo-hept-5-ynyl)furan-3-carboxylate CAS Name: 5-[(E)-3-bromo-2-methylprop-1-enyl]-2-[2-(1-methylethenyl)-7-oxohept-5-ynyl]-3-furancarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(E)-3-bromo-2-methylprop-1-enyl]-2-(7-oxo-2-prop-1-en-2-ylhept-5-ynyl)furan-3-carboxylate Traditional Name: 5-[(E)-3-bromo-2-methyl-prop-1-enyl]-2-(2-isopropenyl-7-keto-hept-5-ynyl)furan-3-carboxylic acid tert-butyl ester Formula: C23H29BrO4 MolecularWeight: 449.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CCC#CC=O)CC1=C(C=C(O1)C=C(C)CBr)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=C)C(CCC#CC=O)CC1=C(C=C(O1)/C=C(\C)/CBr)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29BrO4/c1-16(2)18(10-8-7-9-11-25)13-21-20(22(26)28-23(4,5)6)14-19(27-21)12-17(3)15-24/h11-12,14,18H,1,8,10,13,15H2,2-6H3/b17-12+