methyl 3-chloranyl-5-[1-(3-chloranyl-4-methoxy-5-methoxycarbonyl-phenyl)-6-methylsulfanyl-6-oxidanylidene-hex-1-enyl]-2-methoxy-benzoate

Systemtic Name: methyl 3-chloranyl-5-[1-(3-chloranyl-4-methoxy-5-methoxycarbonyl-phenyl)-6-methylsulfanyl-6-oxidanylidene-hex-1-enyl]-2-methoxy-benzoate Openeye Name: methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonyl-phenyl)-6-methylsulfanyl-6-oxo-hex-1-enyl]-2-methoxy-benzoate CAS Name: 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-(methylthio)-6-oxohex-1-enyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-methylsulfanyl-6-oxohex-1-enyl]-2-methoxybenzoate Traditional Name: 5-[1-(3-carbomethoxy-5-chloro-4-methoxy-phenyl)-6-keto-6-(methylthio)hex-1-enyl]-3-chloro-2-methoxy-benzoic acid methyl ester Formula: C25H26Cl2O7S MolecularWeight: 541.44074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=CCCCC(=O)SC)C2=CC(=C(C(=C2)Cl)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=CCCCC(=O)SC)C2=CC(=C(C(=C2)Cl)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H26Cl2O7S/c1-31-22-17(24(29)33-3)10-14(12-19(22)26)16(8-6-7-9-21(28)35-5)15-11-18(25(30)34-4)23(32-2)20(27)13-15/h8,10-13H,6-7,9H2,1-5H3