methyl 3-[(E)-4-acetyloxybut-2-enyl]-4-[2-(2-iodanyl-3-methoxy-phenyl)carbonyl-3-methoxy-3-oxidanylidene-propyl]-2,6-dimethoxy-benzoate

Systemtic Name: methyl 3-[(E)-4-acetyloxybut-2-enyl]-4-[2-(2-iodanyl-3-methoxy-phenyl)carbonyl-3-methoxy-3-oxidanylidene-propyl]-2,6-dimethoxy-benzoate Openeye Name: methyl 3-[(E)-4-acetoxybut-2-enyl]-4-[2-(2-iodo-3-methoxy-benzoyl)-3-methoxy-3-oxo-propyl]-2,6-dimethoxy-benzoate CAS Name: 3-[(E)-4-acetyloxybut-2-enyl]-4-[2-[(2-iodo-3-methoxyphenyl)-oxomethyl]-3-methoxy-3-oxopropyl]-2,6-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 3-[(E)-4-acetyloxybut-2-enyl]-4-[2-(2-iodo-3-methoxybenzoyl)-3-methoxy-3-oxopropyl]-2,6-dimethoxybenzoate Traditional Name: 3-[(E)-4-acetoxybut-2-enyl]-4-[2-carbomethoxy-3-(2-iodo-3-methoxy-phenyl)-3-keto-propyl]-2,6-dimethoxy-benzoic acid methyl ester Formula: C28H31IO10 MolecularWeight: 654.44421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CCC1=C(C(=C(C=C1CC(C(=O)C2=C(C(=CC=C2)OC)I)C(=O)OC)OC)C(=O)OC)OC

Isomeric SMILES

CC(=O)OC/C=C/CC1=C(C(=C(C=C1CC(C(=O)C2=C(C(=CC=C2)OC)I)C(=O)OC)OC)C(=O)OC)OC

InChI

InChI=1S/C28H31IO10/c1-16(30)39-13-8-7-10-18-17(15-22(35-3)23(26(18)36-4)28(33)38-6)14-20(27(32)37-5)25(31)19-11-9-12-21(34-2)24(19)29/h7-9,11-12,15,20H,10,13-14H2,1-6H3/b8-7+