methyl 5,7-bis(chloranyl)-6-methyl-2-methylsulfanyl-3,8-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylate

Systemtic Name: methyl 5,7-bis(chloranyl)-6-methyl-2-methylsulfanyl-3,8-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylate Openeye Name: methyl 5,7-dichloro-3,8-dihydroxy-6-methyl-2-methylsulfanyl-9-oxo-xanthene-1-carboxylate CAS Name: 5,7-dichloro-3,8-dihydroxy-6-methyl-2-(methylthio)-9-oxo-1-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5,7-dichloro-3,8-dihydroxy-6-methyl-2-methylsulfanyl-9-oxoxanthene-1-carboxylate Traditional Name: 5,7-dichloro-3,8-dihydroxy-9-keto-6-methyl-2-(methylthio)xanthene-1-carboxylic acid methyl ester Formula: C17H12Cl2O6S MolecularWeight: 415.24458

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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)SC)C(=O)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2O6S/c1-5-11(18)14(22)10-13(21)8-7(25-15(10)12(5)19)4-6(20)16(26-3)9(8)17(23)24-2/h4,20,22H,1-3H3