7-(2-methylpropyl)-5-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CC(C)CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C19H18O4S/c1-10(2)6-11-7-14-17(20)13-9-12(19(21)22)4-5-15(13)23-18(14)16(8-11)24-3/h4-5,7-10H,6H2,1-3H3,(H,21,22)