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

Systemtic Name: 5-octyl-9-oxidanylidene-7-propylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 5-octyl-9-oxo-7-propylsulfonyl-xanthene-2-carboxylic acid CAS Name: 5-octyl-9-oxo-7-propylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 5-octyl-9-oxo-7-propylsulfonylxanthene-2-carboxylic acid Traditional Name: 9-keto-5-octyl-7-propylsulfonyl-xanthene-2-carboxylic acid Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC(=C1)S(=O)(=O)CCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C2C(=CC(=C1)S(=O)(=O)CCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H30O6S/c1-3-5-6-7-8-9-10-17-14-19(32(29,30)13-4-2)16-21-23(26)20-15-18(25(27)28)11-12-22(20)31-24(17)21/h11-12,14-16H,3-10,13H2,1-2H3,(H,27,28)