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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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