sodium 5,7-bis(cyclopropylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: sodium 5,7-bis(cyclopropylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: sodium 5,7-bis(cyclopropylsulfanyl)-9-oxo-xanthene-2-carboxylate CAS Name: sodium 5,7-bis(cyclopropylthio)-9-oxo-2-xanthenecarboxylate IUPAC Name: sodium 5,7-bis(cyclopropylsulfanyl)-9-oxoxanthene-2-carboxylate Traditional Name: sodium 5,7-bis(cyclopropylthio)-9-keto-xanthene-2-carboxylate Formula: C20H15NaO4S2 MolecularWeight: 406.45047

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1SC2=CC(=C3C(=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)[O-])SC5CC5.[Na+]

Isomeric SMILES

C1CC1SC2=CC(=C3C(=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)[O-])SC5CC5.[Na+]

InChI

InChI=1S/C20H16O4S2.Na/c21-18-14-7-10(20(22)23)1-6-16(14)24-19-15(18)8-13(25-11-2-3-11)9-17(19)26-12-4-5-12;/h1,6-9,11-12H,2-5H2,(H,22,23);/q;+1/p-1