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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5S/c1-9(2)11-7-13-16(19)12-6-10(18(20)21)4-5-14(12)23-17(13)15(8-11)24(3)22/h4-9H,1-3H3,(H,20,21)