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

Systemtic Name: 5-(2-methylpropoxy)-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-isobutoxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(2-methylpropoxy)-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(2-methylpropoxy)-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-isobutoxy-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)COC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18O5S/c1-10(2)9-23-16-8-12(25-3)7-14-17(20)13-6-11(19(21)22)4-5-15(13)24-18(14)16/h4-8,10H,9H2,1-3H3,(H,21,22)