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

Systemtic Name: 5-ethoxy-9-oxidanylidene-7-sulfo-xanthene-2-carboxylic acid Openeye Name: 5-ethoxy-9-oxo-7-sulfo-xanthene-2-carboxylic acid CAS Name: 5-ethoxy-9-oxo-7-sulfo-2-xanthenecarboxylic acid IUPAC Name: 5-ethoxy-9-oxo-7-sulfoxanthene-2-carboxylic acid Traditional Name: 5-ethoxy-9-keto-7-sulfo-xanthene-2-carboxylic acid Formula: C16H12O8S MolecularWeight: 364.32668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1)S(=O)(=O)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12O8S/c1-2-23-13-7-9(25(20,21)22)6-11-14(17)10-5-8(16(18)19)3-4-12(10)24-15(11)13/h3-7H,2H2,1H3,(H,18,19)(H,20,21,22)