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

Systemtic Name: 5-octyl-9-oxidanylidene-7-sulfo-xanthene-2-carboxylic acid Openeye Name: 5-octyl-9-oxo-7-sulfo-xanthene-2-carboxylic acid CAS Name: 5-octyl-9-oxo-7-sulfo-2-xanthenecarboxylic acid IUPAC Name: 5-octyl-9-oxo-7-sulfoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-octyl-7-sulfo-xanthene-2-carboxylic acid Formula: C22H24O7S MolecularWeight: 432.48676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O7S/c1-2-3-4-5-6-7-8-14-11-16(30(26,27)28)13-18-20(23)17-12-15(22(24)25)9-10-19(17)29-21(14)18/h9-13H,2-8H2,1H3,(H,24,25)(H,26,27,28)