2-methylpropyl 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: 2-methylpropyl 6-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: isobutyl 6-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: 6-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-6-methylsulfinyl-xanthene-2-carboxylic acid isobutyl ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)S(=O)C

Isomeric SMILES

CC(C)COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)S(=O)C

InChI

InChI=1S/C19H18O5S/c1-11(2)10-23-19(21)12-4-7-16-15(8-12)18(20)14-6-5-13(25(3)22)9-17(14)24-16/h4-9,11H,10H2,1-3H3