methyl 5-dodecoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 5-dodecoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 5-dodecoxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-dodecoxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5-dodecoxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5-lauryloxy-7-(methylthio)xanthene-2-carboxylic acid methyl ester Formula: C28H36O5S MolecularWeight: 484.64744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C28H36O5S/c1-4-5-6-7-8-9-10-11-12-13-16-32-25-19-21(34-3)18-23-26(29)22-17-20(28(30)31-2)14-15-24(22)33-27(23)25/h14-15,17-19H,4-13,16H2,1-3H3