pentyl 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: pentyl 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 6-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: 6-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 6-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-6-methylsulfinyl-xanthene-2-carboxylic acid amyl ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)S(=O)C

Isomeric SMILES

CCCCCOC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)S(=O)C

InChI

InChI=1S/C20H20O5S/c1-3-4-5-10-24-20(22)13-6-9-17-16(11-13)19(21)15-8-7-14(26(2)23)12-18(15)25-17/h6-9,11-12H,3-5,10H2,1-2H3