2-methylpropyl 5,7-bis(methylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: 2-methylpropyl 5,7-bis(methylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: isobutyl 5,7-bis(methylsulfanyl)-9-oxo-xanthene-2-carboxylate CAS Name: 5,7-bis(methylthio)-9-oxo-2-xanthenecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5,7-bis(methylsulfanyl)-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5,7-bis(methylthio)xanthene-2-carboxylic acid isobutyl ester Formula: C20H20O4S2 MolecularWeight: 388.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)SC

Isomeric SMILES

CC(C)COC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)SC

InChI

InChI=1S/C20H20O4S2/c1-11(2)10-23-20(22)12-5-6-16-14(7-12)18(21)15-8-13(25-3)9-17(26-4)19(15)24-16/h5-9,11H,10H2,1-4H3