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

Systemtic Name: 9-oxidanylidene-5-propyl-7-sulfo-xanthene-2-carboxylic acid Openeye Name: 9-oxo-5-propyl-7-sulfo-xanthene-2-carboxylic acid CAS Name: 9-oxo-5-propyl-7-sulfo-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5-propyl-7-sulfoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-propyl-7-sulfo-xanthene-2-carboxylic acid Formula: C17H14O7S MolecularWeight: 362.35386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O7S/c1-2-3-9-6-11(25(21,22)23)8-13-15(18)12-7-10(17(19)20)4-5-14(12)24-16(9)13/h4-8H,2-3H2,1H3,(H,19,20)(H,21,22,23)