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

Systemtic Name: 5-ethyl-9-oxidanylidene-7-sulfo-xanthene-2-carboxylic acid Openeye Name: 5-ethyl-9-oxo-7-sulfo-xanthene-2-carboxylic acid CAS Name: 5-ethyl-9-oxo-7-sulfo-2-xanthenecarboxylic acid IUPAC Name: 5-ethyl-9-oxo-7-sulfoxanthene-2-carboxylic acid Traditional Name: 5-ethyl-9-keto-7-sulfo-xanthene-2-carboxylic acid Formula: C16H12O7S MolecularWeight: 348.32728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12O7S/c1-2-8-5-10(24(20,21)22)7-12-14(17)11-6-9(16(18)19)3-4-13(11)23-15(8)12/h3-7H,2H2,1H3,(H,18,19)(H,20,21,22)