7-methylsulfanyl-9-oxidanylidene-5-propan-2-yl-xanthene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c1-9(2)12-7-11(23-3)8-14-16(19)13-6-10(18(20)21)4-5-15(13)22-17(12)14/h4-9H,1-3H3,(H,20,21)