4,4-bis(3-chloranyl-4-methoxy-5-methoxycarbonyl-phenyl)but-3-enoic acid

Systemtic Name: 4,4-bis(3-chloranyl-4-methoxy-5-methoxycarbonyl-phenyl)but-3-enoic acid Openeye Name: 4,4-bis(3-chloro-4-methoxy-5-methoxycarbonyl-phenyl)but-3-enoic acid CAS Name: 4,4-bis(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-3-butenoic acid IUPAC Name: 4,4-bis(3-chloro-4-methoxy-5-methoxycarbonylphenyl)but-3-enoic acid Traditional Name: 4,4-bis(3-carbomethoxy-5-chloro-4-methoxy-phenyl)but-3-enoic acid Formula: C22H20Cl2O8 MolecularWeight: 483.2954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=CCC(=O)O)C2=CC(=C(C(=C2)Cl)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=CCC(=O)O)C2=CC(=C(C(=C2)Cl)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H20Cl2O8/c1-29-19-14(21(27)31-3)7-11(9-16(19)23)13(5-6-18(25)26)12-8-15(22(28)32-4)20(30-2)17(24)10-12/h5,7-10H,6H2,1-4H3,(H,25,26)