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

Systemtic Name: 7-chloranylsulfonyl-5-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-chlorosulfonyl-5-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-chlorosulfonyl-5-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-chlorosulfonyl-5-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-chlorosulfonyl-9-keto-5-octoxy-xanthene-2-carboxylic acid Formula: C22H23ClO7S MolecularWeight: 466.93182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClO7S/c1-2-3-4-5-6-7-10-29-19-13-15(31(23,27)28)12-17-20(24)16-11-14(22(25)26)8-9-18(16)30-21(17)19/h8-9,11-13H,2-7,10H2,1H3,(H,25,26)