7-(3-methylbutoxy)-5-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-(3-methylbutoxy)-5-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-isopentyloxy-5-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(3-methylbutoxy)-5-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(3-methylbutoxy)-5-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-isoamoxy-9-keto-5-(methylthio)xanthene-2-carboxylic acid Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O5S/c1-11(2)6-7-24-13-9-15-18(21)14-8-12(20(22)23)4-5-16(14)25-19(15)17(10-13)26-3/h4-5,8-11H,6-7H2,1-3H3,(H,22,23)