disodium 3-[2-[2-(4-methylphenyl)ethynyl]-4-(3-oxidanidylperoxysulfanylpropoxy)-5-prop-1-ynyl-phenoxy]propane-1-sulfonate

Systemtic Name: disodium 3-[2-[2-(4-methylphenyl)ethynyl]-4-(3-oxidanidylperoxysulfanylpropoxy)-5-prop-1-ynyl-phenoxy]propane-1-sulfonate Openeye Name: disodium 3-[4-(3-oxidoperoxysulfanylpropoxy)-5-prop-1-ynyl-2-[2-(p-tolyl)ethynyl]phenoxy]propane-1-sulfonate CAS Name: disodium 3-[2-[2-(4-methylphenyl)ethynyl]-4-[3-(oxidodioxythio)propoxy]-5-prop-1-ynylphenoxy]-1-propanesulfonate IUPAC Name: disodium 3-[2-[2-(4-methylphenyl)ethynyl]-4-(3-oxidoperoxysulfanylpropoxy)-5-prop-1-ynylphenoxy]propane-1-sulfonate Traditional Name: disodium 3-[4-[3-(oxidoperoxythio)propoxy]-5-prop-1-ynyl-2-[2-(p-tolyl)ethynyl]phenoxy]propane-1-sulfonate Formula: C24H24Na2O8S2 MolecularWeight: 550.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C(=C1)OCCCS(=O)(=O)[O-])C#CC2=CC=C(C=C2)C)OCCCSOO[O-].[Na+].[Na+]

Isomeric SMILES

CC#CC1=C(C=C(C(=C1)OCCCS(=O)(=O)[O-])C#CC2=CC=C(C=C2)C)OCCCSOO[O-].[Na+].[Na+]

InChI

InChI=1S/C24H26O8S2.2Na/c1-3-6-21-17-24(30-14-5-16-34(26,27)28)22(12-11-20-9-7-19(2)8-10-20)18-23(21)29-13-4-15-33-32-31-25;;/h7-10,17-18,25H,4-5,13-16H2,1-2H3,(H,26,27,28);;/q;2*+1/p-2