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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

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