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

Systemtic Name: 5-methylsulfonyl-9-oxidanylidene-7-propan-2-yl-xanthene-2-carboxylic acid Openeye Name: 7-isopropyl-5-methylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-methylsulfonyl-9-oxo-7-propan-2-yl-2-xanthenecarboxylic acid IUPAC Name: 5-methylsulfonyl-9-oxo-7-propan-2-ylxanthene-2-carboxylic acid Traditional Name: 7-isopropyl-9-keto-5-mesyl-xanthene-2-carboxylic acid Formula: C18H16O6S MolecularWeight: 360.38104

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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)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16O6S/c1-9(2)11-7-13-16(19)12-6-10(18(20)21)4-5-14(12)24-17(13)15(8-11)25(3,22)23/h4-9H,1-3H3,(H,20,21)