6-butan-2-ylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c1-3-10(2)23-12-5-6-13-16(9-12)22-15-7-4-11(18(20)21)8-14(15)17(13)19/h4-10H,3H2,1-2H3,(H,20,21)