7-methyl-9-oxidanylidene-5-propylsulfonyl-xanthene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O6S/c1-3-6-25(22,23)15-8-10(2)7-13-16(19)12-9-11(18(20)21)4-5-14(12)24-17(13)15/h4-5,7-9H,3,6H2,1-2H3,(H,20,21)