6-cyclobutylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-cyclobutylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-cyclobutylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(cyclobutylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-cyclobutylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-(cyclobutylthio)-9-keto-xanthene-2-carboxylic acid Formula: C18H14O4S MolecularWeight: 326.36636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)SC2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(C1)SC2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O

InChI

InChI=1S/C18H14O4S/c19-17-13-6-5-12(23-11-2-1-3-11)9-16(13)22-15-7-4-10(18(20)21)8-14(15)17/h4-9,11H,1-3H2,(H,20,21)