9-oxidanylidene-6-propan-2-ylsulfanyl-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-6-propan-2-ylsulfanyl-xanthene-2-carboxylic acid Openeye Name: 6-isopropylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 9-oxo-6-(propan-2-ylthio)-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-6-propan-2-ylsulfanylxanthene-2-carboxylic acid Traditional Name: 6-(isopropylthio)-9-keto-xanthene-2-carboxylic acid Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)SC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O4S/c1-9(2)22-11-4-5-12-15(8-11)21-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)