1-ethyl-9-oxidanylidene-6-sulfo-xanthene-2-carboxylic acid

Systemtic Name: 1-ethyl-9-oxidanylidene-6-sulfo-xanthene-2-carboxylic acid Openeye Name: 1-ethyl-9-oxo-6-sulfo-xanthene-2-carboxylic acid CAS Name: 1-ethyl-9-oxo-6-sulfo-2-xanthenecarboxylic acid IUPAC Name: 1-ethyl-9-oxo-6-sulfoxanthene-2-carboxylic acid Traditional Name: 1-ethyl-9-keto-6-sulfo-xanthene-2-carboxylic acid Formula: C16H12O7S MolecularWeight: 348.32728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C=C3)S(=O)(=O)O)C(=O)O

InChI

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