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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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