7-butoxy-9-oxidanylidene-5-propylsulfanyl-xanthene-2-carboxylic acid

Systemtic Name: 7-butoxy-9-oxidanylidene-5-propylsulfanyl-xanthene-2-carboxylic acid Openeye Name: 7-butoxy-9-oxo-5-propylsulfanyl-xanthene-2-carboxylic acid CAS Name: 7-butoxy-9-oxo-5-(propylthio)-2-xanthenecarboxylic acid IUPAC Name: 7-butoxy-9-oxo-5-propylsulfanylxanthene-2-carboxylic acid Traditional Name: 7-butoxy-9-keto-5-(propylthio)xanthene-2-carboxylic acid Formula: C21H22O5S MolecularWeight: 386.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCC

Isomeric SMILES

CCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCC

InChI

InChI=1S/C21H22O5S/c1-3-5-8-25-14-11-16-19(22)15-10-13(21(23)24)6-7-17(15)26-20(16)18(12-14)27-9-4-2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,24)