5-ethylsulfonyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-ethylsulfonyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-ethylsulfonyl-7-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-ethylsulfonyl-7-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-ethylsulfonyl-7-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-esyl-9-keto-7-octoxy-xanthene-2-carboxylic acid Formula: C24H28O7S MolecularWeight: 460.53992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

Isomeric SMILES

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

InChI

InChI=1S/C24H28O7S/c1-3-5-6-7-8-9-12-30-17-14-19-22(25)18-13-16(24(26)27)10-11-20(18)31-23(19)21(15-17)32(28,29)4-2/h10-11,13-15H,3-9,12H2,1-2H3,(H,26,27)