5-hexyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-hexyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-hexyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-hexyl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-hexyl-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-hexyl-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22O4S/c1-3-4-5-6-7-13-10-15(26-2)12-17-19(22)16-11-14(21(23)24)8-9-18(16)25-20(13)17/h8-12H,3-7H2,1-2H3,(H,23,24)