7-butyl-5-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C19H18O4S/c1-3-4-5-11-8-14-17(20)13-10-12(19(21)22)6-7-15(13)23-18(14)16(9-11)24-2/h6-10H,3-5H2,1-2H3,(H,21,22)