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

Systemtic Name: 7-ethylsulfinyl-5-octyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-ethylsulfinyl-5-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-ethylsulfinyl-5-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-ethylsulfinyl-5-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-ethylsulfinyl-9-keto-5-octyl-xanthene-2-carboxylic acid Formula: C24H28O5S MolecularWeight: 428.54112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O5S/c1-3-5-6-7-8-9-10-16-13-18(30(28)4-2)15-20-22(25)19-14-17(24(26)27)11-12-21(19)29-23(16)20/h11-15H,3-10H2,1-2H3,(H,26,27)