ethyl 5-methylsulfonyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: ethyl 5-methylsulfonyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: ethyl 5-methylsulfonyl-7-octoxy-9-oxo-xanthene-2-carboxylate CAS Name: 5-methylsulfonyl-7-octoxy-9-oxo-2-xanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfonyl-7-octoxy-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5-mesyl-7-octoxy-xanthene-2-carboxylic acid ethyl ester Formula: C25H30O7S MolecularWeight: 474.5665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C25H30O7S/c1-4-6-7-8-9-10-13-31-18-15-20-23(26)19-14-17(25(27)30-5-2)11-12-21(19)32-24(20)22(16-18)33(3,28)29/h11-12,14-16H,4-10,13H2,1-3H3