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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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