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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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