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

Systemtic Name: 5,7-bis(methylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(methylsulfanyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(methylsulfanyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5,7-bis(methylthio)xanthene-2-carboxylic acid Formula: C16H12O4S2 MolecularWeight: 332.39408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C16H12O4S2/c1-21-9-6-11-14(17)10-5-8(16(18)19)3-4-12(10)20-15(11)13(7-9)22-2/h3-7H,1-2H3,(H,18,19)