methyl 5,7-bis(chloranyl)-2-[2-(2,2-dimethylpropanoyloxymethoxy)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3,8-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylate

Systemtic Name: methyl 5,7-bis(chloranyl)-2-[2-(2,2-dimethylpropanoyloxymethoxy)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3,8-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylate Openeye Name: methyl 5,7-dichloro-2-[2-(2,2-dimethylpropanoyloxymethoxy)-2-oxo-ethyl]sulfanyl-3,8-dihydroxy-6-methyl-9-oxo-xanthene-1-carboxylate CAS Name: 5,7-dichloro-2-[[2-[(2,2-dimethyl-1-oxopropoxy)methoxy]-2-oxoethyl]thio]-3,8-dihydroxy-6-methyl-9-oxo-1-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5,7-dichloro-2-[2-(2,2-dimethylpropanoyloxymethoxy)-2-oxoethyl]sulfanyl-3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate Traditional Name: 5,7-dichloro-3,8-dihydroxy-9-keto-2-[[2-keto-2-(pivaloyloxymethoxy)ethyl]thio]-6-methyl-xanthene-1-carboxylic acid methyl ester Formula: C24H22Cl2O10S MolecularWeight: 573.39648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1Cl)O)C(=O)C3=C(C(=C(C=C3O2)O)SCC(=O)OCOC(=O)C(C)(C)C)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C2=C(C(=C1Cl)O)C(=O)C3=C(C(=C(C=C3O2)O)SCC(=O)OCOC(=O)C(C)(C)C)C(=O)OC)Cl

InChI

InChI=1S/C24H22Cl2O10S/c1-9-16(25)19(30)15-18(29)13-11(36-20(15)17(9)26)6-10(27)21(14(13)22(31)33-5)37-7-12(28)34-8-35-23(32)24(2,3)4/h6,27,30H,7-8H2,1-5H3