methyl (E)-4-[6-chloranyl-4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)chromen-3-yl]oxybut-3-enoate

Systemtic Name: methyl (E)-4-[6-chloranyl-4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)chromen-3-yl]oxybut-3-enoate Openeye Name: methyl (E)-4-[6-chloro-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-3-yl]oxybut-3-enoate CAS Name: (E)-4-[[6-chloro-4-oxo-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-3-yl]oxy]-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[6-chloro-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-3-yl]oxybut-3-enoate Traditional Name: (E)-4-[6-chloro-4-keto-2-(3,4,5-trimethoxyphenyl)chromen-3-yl]oxybut-3-enoic acid methyl ester Formula: C23H21ClO8 MolecularWeight: 460.86104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC=CCC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)O/C=C/CC(=O)OC

InChI

InChI=1S/C23H21ClO8/c1-27-17-10-13(11-18(28-2)22(17)30-4)21-23(31-9-5-6-19(25)29-3)20(26)15-12-14(24)7-8-16(15)32-21/h5,7-12H,6H2,1-4H3/b9-5+