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

Systemtic Name: pentyl 7-hexoxy-5-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 7-hexoxy-5-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 7-hexoxy-5-(methylthio)-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 7-hexoxy-5-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 7-hexoxy-9-keto-5-(methylthio)xanthene-2-carboxylic acid amyl ester Formula: C26H32O5S MolecularWeight: 456.59428

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H32O5S/c1-4-6-8-10-13-29-19-16-21-24(27)20-15-18(26(28)30-14-9-7-5-2)11-12-22(20)31-25(21)23(17-19)32-3/h11-12,15-17H,4-10,13-14H2,1-3H3