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

Systemtic Name: 5,7-bis(ethylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(ethylsulfanyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(ethylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(ethylsulfanyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(ethylthio)-9-keto-xanthene-2-carboxylic acid Formula: C18H16O4S2 MolecularWeight: 360.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCC

Isomeric SMILES

CCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCC

InChI

InChI=1S/C18H16O4S2/c1-3-23-11-8-13-16(19)12-7-10(18(20)21)5-6-14(12)22-17(13)15(9-11)24-4-2/h5-9H,3-4H2,1-2H3,(H,20,21)