7-heptoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-heptoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-heptoxy-5-methylsulfinyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-heptoxy-5-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-heptoxy-5-methylsulfinyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-heptoxy-9-keto-5-methylsulfinyl-xanthene-2-carboxylic acid Formula: C22H24O6S MolecularWeight: 416.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C

Isomeric SMILES

CCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C

InChI

InChI=1S/C22H24O6S/c1-3-4-5-6-7-10-27-15-12-17-20(23)16-11-14(22(24)25)8-9-18(16)28-21(17)19(13-15)29(2)26/h8-9,11-13H,3-7,10H2,1-2H3,(H,24,25)