ditert-butyl 3-(3-iodanyl-5-methoxy-4-propoxy-phenyl)carbonylhexanedioate

Systemtic Name: ditert-butyl 3-(3-iodanyl-5-methoxy-4-propoxy-phenyl)carbonylhexanedioate Openeye Name: ditert-butyl 3-(3-iodo-5-methoxy-4-propoxy-benzoyl)hexanedioate CAS Name: 3-[(3-iodo-5-methoxy-4-propoxyphenyl)-oxomethyl]hexanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 3-(3-iodo-5-methoxy-4-propoxybenzoyl)hexanedioate Traditional Name: 3-(3-iodo-5-methoxy-4-propoxy-benzoyl)adipic acid ditert-butyl ester Formula: C25H37IO7 MolecularWeight: 576.46155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C(=O)C(CCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)C(=O)C(CCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)OC

InChI

InChI=1S/C25H37IO7/c1-9-12-31-23-18(26)13-17(14-19(23)30-8)22(29)16(15-21(28)33-25(5,6)7)10-11-20(27)32-24(2,3)4/h13-14,16H,9-12,15H2,1-8H3