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

Systemtic Name: 7-ethyl-5-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-ethyl-5-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-ethyl-5-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-ethyl-5-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-ethyl-9-keto-5-(methylthio)xanthene-2-carboxylic acid Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C17H14O4S/c1-3-9-6-12-15(18)11-8-10(17(19)20)4-5-13(11)21-16(12)14(7-9)22-2/h4-8H,3H2,1-2H3,(H,19,20)