7-ethyl-9-oxidanylidene-1-sulfo-xanthene-2-carboxylic acid

Systemtic Name: 7-ethyl-9-oxidanylidene-1-sulfo-xanthene-2-carboxylic acid Openeye Name: 7-ethyl-9-oxo-1-sulfo-xanthene-2-carboxylic acid CAS Name: 7-ethyl-9-oxo-1-sulfo-2-xanthenecarboxylic acid IUPAC Name: 7-ethyl-9-oxo-1-sulfoxanthene-2-carboxylic acid Traditional Name: 7-ethyl-9-keto-1-sulfo-xanthene-2-carboxylic acid Formula: C16H12O7S MolecularWeight: 348.32728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC3=C(C2=O)C(=C(C=C3)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)OC3=C(C2=O)C(=C(C=C3)C(=O)O)S(=O)(=O)O

InChI

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