5,7-bis(butylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(butylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(butylsulfanyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(butylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(butylsulfanyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(butylthio)-9-keto-xanthene-2-carboxylic acid Formula: C22H24O4S2 MolecularWeight: 416.55356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCCC

Isomeric SMILES

CCCCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCCC

InChI

InChI=1S/C22H24O4S2/c1-3-5-9-27-15-12-17-20(23)16-11-14(22(24)25)7-8-18(16)26-21(17)19(13-15)28-10-6-4-2/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,25)