methyl 6,6-bis(3-chloranyl-4-methoxy-5-methylsulfanylcarbonyl-phenyl)hex-5-enoate

Systemtic Name: methyl 6,6-bis(3-chloranyl-4-methoxy-5-methylsulfanylcarbonyl-phenyl)hex-5-enoate Openeye Name: methyl 6,6-bis(3-chloro-4-methoxy-5-methylsulfanylcarbonyl-phenyl)hex-5-enoate CAS Name: 6,6-bis[3-chloro-4-methoxy-5-[(methylthio)-oxomethyl]phenyl]-5-hexenoic acid methyl ester IUPAC Name: methyl 6,6-bis(3-chloro-4-methoxy-5-methylsulfanylcarbonylphenyl)hex-5-enoate Traditional Name: 6,6-bis[3-chloro-4-methoxy-5-(methylthio)carbonyl-phenyl]hex-5-enoic acid methyl ester Formula: C25H26Cl2O6S2 MolecularWeight: 557.50634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26Cl2O6S2/c1-31-21(28)9-7-6-8-16(14-10-17(24(29)34-4)22(32-2)19(26)12-14)15-11-18(25(30)35-5)23(33-3)20(27)13-15/h8,10-13H,6-7,9H2,1-5H3