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

Systemtic Name: 5-(3-methylbutyl)-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-isopentyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(3-methylbutyl)-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(3-methylbutyl)-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-isoamyl-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H20O4S/c1-11(2)4-5-12-8-14(25-3)10-16-18(21)15-9-13(20(22)23)6-7-17(15)24-19(12)16/h6-11H,4-5H2,1-3H3,(H,22,23)