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

Systemtic Name: pentyl 5-heptoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 5-heptoxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-heptoxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 5-heptoxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 5-heptoxy-9-keto-7-(methylthio)xanthene-2-carboxylic acid amyl ester Formula: C27H34O5S MolecularWeight: 470.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC

Isomeric SMILES

CCCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC

InChI

InChI=1S/C27H34O5S/c1-4-6-8-9-11-14-30-24-18-20(33-3)17-22-25(28)21-16-19(12-13-23(21)32-26(22)24)27(29)31-15-10-7-5-2/h12-13,16-18H,4-11,14-15H2,1-3H3