sodium O4-(2-ethyl-2-oxidanidylperoxysulfanyl-hexa-3,5-diynyl) O1-hexa-3,5-diynyl 2-ethylbutanedioate

Systemtic Name: sodium O4-(2-ethyl-2-oxidanidylperoxysulfanyl-hexa-3,5-diynyl) O1-hexa-3,5-diynyl 2-ethylbutanedioate Openeye Name: sodium O4-(2-ethyl-2-oxidoperoxysulfanyl-hexa-3,5-diynyl) O1-hexa-3,5-diynyl 2-ethylbutanedioate CAS Name: sodium 2-ethylbutanedioic acid O4-[2-ethyl-2-(oxidodioxythio)hexa-3,5-diynyl] ester O1-hexa-3,5-diynyl ester IUPAC Name: sodium 4-O-(2-ethyl-2-oxidoperoxysulfanylhexa-3,5-diynyl) 1-O-hexa-3,5-diynyl 2-ethylbutanedioate Traditional Name: sodium 2-ethylsuccinic acid O4-[2-ethyl-2-(oxidoperoxythio)hexa-3,5-diynyl] ester O1-hexa-3,5-diynyl ester Formula: C20H21NaO7S MolecularWeight: 428.43131

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OCC(CC)(C#CC#C)SOO[O-])C(=O)OCCC#CC#C.[Na+]

Isomeric SMILES

CCC(CC(=O)OCC(CC)(C#CC#C)SOO[O-])C(=O)OCCC#CC#C.[Na+]

InChI

InChI=1S/C20H22O7S.Na/c1-5-9-11-12-14-24-19(22)17(7-3)15-18(21)25-16-20(8-4,13-10-6-2)28-27-26-23;/h1-2,17,23H,7-8,12,14-16H2,3-4H3;/q;+1/p-1