sodium O1-(2-heptan-3-yloxyethyl) O4-(2-heptoxyethyl) 3-methyl-2-oxidanidylperoxysulfanyl-butanedioate

Systemtic Name: sodium O1-(2-heptan-3-yloxyethyl) O4-(2-heptoxyethyl) 3-methyl-2-oxidanidylperoxysulfanyl-butanedioate Openeye Name: sodium O1-[2-(1-ethylpentoxy)ethyl] O4-(2-heptoxyethyl) 3-methyl-2-oxidoperoxysulfanyl-butanedioate CAS Name: sodium 3-methyl-2-(oxidodioxythio)butanedioic acid O1-(2-heptan-3-yloxyethyl) ester O4-(2-heptoxyethyl) ester IUPAC Name: sodium 1-O-(2-heptan-3-yloxyethyl) 4-O-(2-heptoxyethyl) 3-methyl-2-oxidoperoxysulfanylbutanedioate Traditional Name: sodium 3-methyl-2-(oxidoperoxythio)succinic acid O1-[2-(1-ethylpentoxy)ethyl] ester O4-(2-heptoxyethyl) ester Formula: C23H43NaO9S MolecularWeight: 518.63689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCOC(=O)C(C)C(C(=O)OCCOC(CC)CCCC)SOO[O-].[Na+]

Isomeric SMILES

CCCCCCCOCCOC(=O)C(C)C(C(=O)OCCOC(CC)CCCC)SOO[O-].[Na+]

InChI

InChI=1S/C23H44O9S.Na/c1-5-8-10-11-12-14-27-15-16-29-22(24)19(4)21(33-32-31-26)23(25)30-18-17-28-20(7-3)13-9-6-2;/h19-21,26H,5-18H2,1-4H3;/q;+1/p-1