7-methyl-9-oxidanylidene-5-propan-2-ylsulfonyl-xanthene-2-carboxylic acid

Systemtic Name: 7-methyl-9-oxidanylidene-5-propan-2-ylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 5-isopropylsulfonyl-7-methyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-methyl-9-oxo-5-propan-2-ylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 7-methyl-9-oxo-5-propan-2-ylsulfonylxanthene-2-carboxylic acid Traditional Name: 5-isopropylsulfonyl-9-keto-7-methyl-xanthene-2-carboxylic acid Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C(C)C

InChI

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