pentyl 7-hexoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: pentyl 7-hexoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 7-hexoxy-5-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: 7-hexoxy-5-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 7-hexoxy-5-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: 7-hexoxy-9-keto-5-methylsulfinyl-xanthene-2-carboxylic acid amyl ester Formula: C26H32O6S MolecularWeight: 472.59368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC)S(=O)C

Isomeric SMILES

CCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC)S(=O)C

InChI

InChI=1S/C26H32O6S/c1-4-6-8-10-13-30-19-16-21-24(27)20-15-18(26(28)31-14-9-7-5-2)11-12-22(20)32-25(21)23(17-19)33(3)29/h11-12,15-17H,4-10,13-14H2,1-3H3