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

Systemtic Name: 9-oxidanylidene-5,7-bis(propylsulfanyl)xanthene-2-carboxylic acid Openeye Name: 9-oxo-5,7-bis(propylsulfanyl)xanthene-2-carboxylic acid CAS Name: 9-oxo-5,7-bis(propylthio)-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5,7-bis(propylsulfanyl)xanthene-2-carboxylic acid Traditional Name: 9-keto-5,7-bis(propylthio)xanthene-2-carboxylic acid Formula: C20H20O4S2 MolecularWeight: 388.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCC

Isomeric SMILES

CCCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCC

InChI

InChI=1S/C20H20O4S2/c1-3-7-25-13-10-15-18(21)14-9-12(20(22)23)5-6-16(14)24-19(15)17(11-13)26-8-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)