6-(2-methylpropylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(2-methylpropylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-isobutylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(2-methylpropylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(2-methylpropylsulfanyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-(isobutylthio)-9-keto-xanthene-2-carboxylic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O4S/c1-10(2)9-23-12-4-5-13-16(8-12)22-15-6-3-11(18(20)21)7-14(15)17(13)19/h3-8,10H,9H2,1-2H3,(H,20,21)