7-(2-oxidanylbutylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-(2-oxidanylbutylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(2-hydroxybutylsulfanyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(2-hydroxybutylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(2-hydroxybutylsulfanyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(2-hydroxybutylthio)-9-keto-xanthene-2-carboxylic acid Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O)O

Isomeric SMILES

CCC(CSC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O)O

InChI

InChI=1S/C18H16O5S/c1-2-11(19)9-24-12-4-6-16-14(8-12)17(20)13-7-10(18(21)22)3-5-15(13)23-16/h3-8,11,19H,2,9H2,1H3,(H,21,22)