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

Systemtic Name: ethyl 5-dodecoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: ethyl 5-dodecoxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-dodecoxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-dodecoxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5-lauryloxy-7-(methylthio)xanthene-2-carboxylic acid ethyl ester Formula: C29H38O5S MolecularWeight: 498.67402

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H38O5S/c1-4-6-7-8-9-10-11-12-13-14-17-33-26-20-22(35-3)19-24-27(30)23-18-21(29(31)32-5-2)15-16-25(23)34-28(24)26/h15-16,18-20H,4-14,17H2,1-3H3