7-methylsulfinyl-9-oxidanylidene-5-propyl-xanthene-2-carboxylic acid

Systemtic Name: 7-methylsulfinyl-9-oxidanylidene-5-propyl-xanthene-2-carboxylic acid Openeye Name: 7-methylsulfinyl-9-oxo-5-propyl-xanthene-2-carboxylic acid CAS Name: 7-methylsulfinyl-9-oxo-5-propyl-2-xanthenecarboxylic acid IUPAC Name: 7-methylsulfinyl-9-oxo-5-propylxanthene-2-carboxylic acid Traditional Name: 9-keto-7-methylsulfinyl-5-propyl-xanthene-2-carboxylic acid Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O5S/c1-3-4-10-7-12(24(2)22)9-14-16(19)13-8-11(18(20)21)5-6-15(13)23-17(10)14/h5-9H,3-4H2,1-2H3,(H,20,21)