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

Systemtic Name: 5-methylsulfanyl-9-oxidanylidene-7-propyl-xanthene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-9-oxo-7-propyl-xanthene-2-carboxylic acid CAS Name: 5-(methylthio)-9-oxo-7-propyl-2-xanthenecarboxylic acid IUPAC Name: 5-methylsulfanyl-9-oxo-7-propylxanthene-2-carboxylic acid Traditional Name: 9-keto-5-(methylthio)-7-propyl-xanthene-2-carboxylic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c1-3-4-10-7-13-16(19)12-9-11(18(20)21)5-6-14(12)22-17(13)15(8-10)23-2/h5-9H,3-4H2,1-2H3,(H,20,21)