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

Systemtic Name: 7-octoxy-9-oxidanylidene-5-sulfo-xanthene-2-carboxylic acid Openeye Name: 7-octoxy-9-oxo-5-sulfo-xanthene-2-carboxylic acid CAS Name: 7-octoxy-9-oxo-5-sulfo-2-xanthenecarboxylic acid IUPAC Name: 7-octoxy-9-oxo-5-sulfoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-octoxy-5-sulfo-xanthene-2-carboxylic acid Formula: C22H24O8S MolecularWeight: 448.48616

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24O8S/c1-2-3-4-5-6-7-10-29-15-12-17-20(23)16-11-14(22(24)25)8-9-18(16)30-21(17)19(13-15)31(26,27)28/h8-9,11-13H,2-7,10H2,1H3,(H,24,25)(H,26,27,28)