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

Systemtic Name: 9-oxidanylidene-5-propoxy-7-sulfo-xanthene-2-carboxylic acid Openeye Name: 9-oxo-5-propoxy-7-sulfo-xanthene-2-carboxylic acid CAS Name: 9-oxo-5-propoxy-7-sulfo-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5-propoxy-7-sulfoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-propoxy-7-sulfo-xanthene-2-carboxylic acid Formula: C17H14O8S MolecularWeight: 378.35326

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O8S/c1-2-5-24-14-8-10(26(21,22)23)7-12-15(18)11-6-9(17(19)20)3-4-13(11)25-16(12)14/h3-4,6-8H,2,5H2,1H3,(H,19,20)(H,21,22,23)