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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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