6-tert-butylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-tert-butylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-tert-butylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(tert-butylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-tert-butylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-(tert-butylthio)-9-keto-xanthene-2-carboxylic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O4S/c1-18(2,3)23-11-5-6-12-15(9-11)22-14-7-4-10(17(20)21)8-13(14)16(12)19/h4-9H,1-3H3,(H,20,21)