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

Systemtic Name: tert-butyl 5-[(E)-3-chloranyl-2-methyl-prop-1-enyl]-2-(7-oxidanyl-2-prop-1-en-2-yl-hept-5-ynyl)furan-3-carboxylate Openeye Name: tert-butyl 5-[(E)-3-chloro-2-methyl-prop-1-enyl]-2-(7-hydroxy-2-isopropenyl-hept-5-ynyl)furan-3-carboxylate CAS Name: 5-[(E)-3-chloro-2-methylprop-1-enyl]-2-[7-hydroxy-2-(1-methylethenyl)hept-5-ynyl]-3-furancarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(E)-3-chloro-2-methylprop-1-enyl]-2-(7-hydroxy-2-prop-1-en-2-ylhept-5-ynyl)furan-3-carboxylate Traditional Name: 5-[(E)-3-chloro-2-methyl-prop-1-enyl]-2-(7-hydroxy-2-isopropenyl-hept-5-ynyl)furan-3-carboxylic acid tert-butyl ester Formula: C23H31ClO4 MolecularWeight: 406.94284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CCC#CCO)CC1=C(C=C(O1)C=C(C)CCl)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClO4/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/h12,14,18,25H,1,8,10-11,13,15H2,2-6H3/b17-12+