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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)SC

Isomeric SMILES

CCC(C)OC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)SC

InChI

InChI=1S/C20H20O4S2/c1-5-11(2)23-20(22)12-6-7-16-14(8-12)18(21)15-9-13(25-3)10-17(26-4)19(15)24-16/h6-11H,5H2,1-4H3