sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentacarboxylate

Systemtic Name: sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentacarboxylate Openeye Name: sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentacarboxylate CAS Name: sodium 6-mercaptobenzene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester IUPAC Name: sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentacarboxylate Traditional Name: sodium 6-mercaptobenzene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester Formula: C16H16NaO10S+ MolecularWeight: 423.34701

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C(=O)OC)S)C(=O)OC)C(=O)OC.[Na+]

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C(=O)OC)S)C(=O)OC)C(=O)OC.[Na+]

InChI

InChI=1S/C16H16O10S.Na/c1-22-12(17)6-7(13(18)23-2)9(15(20)25-4)11(27)10(16(21)26-5)8(6)14(19)24-3;/h27H,1-5H3;/q;+1