9-oxidanylidene-7-propan-2-yloxy-5-sulfo-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-7-propan-2-yloxy-5-sulfo-xanthene-2-carboxylic acid Openeye Name: 7-isopropoxy-9-oxo-5-sulfo-xanthene-2-carboxylic acid CAS Name: 9-oxo-7-propan-2-yloxy-5-sulfo-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-7-propan-2-yloxy-5-sulfoxanthene-2-carboxylic acid Traditional Name: 7-isopropoxy-9-keto-5-sulfo-xanthene-2-carboxylic acid Formula: C17H14O8S MolecularWeight: 378.35326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)OC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14O8S/c1-8(2)24-10-6-12-15(18)11-5-9(17(19)20)3-4-13(11)25-16(12)14(7-10)26(21,22)23/h3-8H,1-2H3,(H,19,20)(H,21,22,23)