methyl 9-oxidanylidene-5,7-bis(propan-2-ylsulfanyl)xanthene-2-carboxylate

Systemtic Name: methyl 9-oxidanylidene-5,7-bis(propan-2-ylsulfanyl)xanthene-2-carboxylate Openeye Name: methyl 5,7-bis(isopropylsulfanyl)-9-oxo-xanthene-2-carboxylate CAS Name: 9-oxo-5,7-bis(propan-2-ylthio)-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 9-oxo-5,7-bis(propan-2-ylsulfanyl)xanthene-2-carboxylate Traditional Name: 5,7-bis(isopropylthio)-9-keto-xanthene-2-carboxylic acid methyl ester Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)SC(C)C

Isomeric SMILES

CC(C)SC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)SC(C)C

InChI

InChI=1S/C21H22O4S2/c1-11(2)26-14-9-16-19(22)15-8-13(21(23)24-5)6-7-17(15)25-20(16)18(10-14)27-12(3)4/h6-12H,1-5H3