tetrasodium 3-ethyl-4-(2-ethyl-7-oxidanidylperoxysulfanyl-4-sulfonato-naphthalen-1-yl)-6-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate

Systemtic Name: tetrasodium 3-ethyl-4-(2-ethyl-7-oxidanidylperoxysulfanyl-4-sulfonato-naphthalen-1-yl)-6-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate Openeye Name: tetrasodium 3-ethyl-4-(2-ethyl-7-oxidoperoxysulfanyl-4-sulfonato-1-naphthyl)-6-oxidoperoxysulfanyl-naphthalene-1-sulfonate CAS Name: tetrasodium 3-ethyl-4-[2-ethyl-7-(oxidodioxythio)-4-sulfonato-1-naphthalenyl]-6-(oxidodioxythio)-1-naphthalenesulfonate IUPAC Name: tetrasodium 3-ethyl-4-(2-ethyl-7-oxidoperoxysulfanyl-4-sulfonatonaphthalen-1-yl)-6-oxidoperoxysulfanylnaphthalene-1-sulfonate Traditional Name: tetrasodium 3-ethyl-4-[2-ethyl-7-(oxidoperoxythio)-4-sulfonato-1-naphthyl]-6-(oxidoperoxythio)naphthalene-1-sulfonate Formula: C24H18Na4O12S4 MolecularWeight: 718.6116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=CC(=CC2=C1C3=C4C=C(C=CC4=C(C=C3CC)S(=O)(=O)[O-])SOO[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCC1=CC(=C2C=CC(=CC2=C1C3=C4C=C(C=CC4=C(C=C3CC)S(=O)(=O)[O-])SOO[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H22O12S4.4Na/c1-3-13-9-21(39(27,28)29)17-7-5-15(37-35-33-25)11-19(17)23(13)24-14(4-2)10-22(40(30,31)32)18-8-6-16(12-20(18)24)38-36-34-26;;;;/h5-12,25-26H,3-4H2,1-2H3,(H,27,28,29)(H,30,31,32);;;;/q;4*+1/p-4