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

Systemtic Name: pentyl 5,7-bis(methylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 5,7-bis(methylsulfanyl)-9-oxo-xanthene-2-carboxylate CAS Name: 5,7-bis(methylthio)-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 5,7-bis(methylsulfanyl)-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5,7-bis(methylthio)xanthene-2-carboxylic acid amyl ester Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)SC

Isomeric SMILES

CCCCCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)SC

InChI

InChI=1S/C21H22O4S2/c1-4-5-6-9-24-21(23)13-7-8-17-15(10-13)19(22)16-11-14(26-2)12-18(27-3)20(16)25-17/h7-8,10-12H,4-6,9H2,1-3H3