5-butan-2-yl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-butan-2-yl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-methylsulfanyl-9-oxo-5-sec-butyl-xanthene-2-carboxylic acid CAS Name: 5-butan-2-yl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-butan-2-yl-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-(methylthio)-5-sec-butyl-xanthene-2-carboxylic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCC(C)C1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18O4S/c1-4-10(2)13-8-12(24-3)9-15-17(20)14-7-11(19(21)22)5-6-16(14)23-18(13)15/h5-10H,4H2,1-3H3,(H,21,22)