tetrasodium 6-[[2-[(7-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,3-disulfonate

Systemtic Name: tetrasodium 6-[[2-[(7-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,3-disulfonate Openeye Name: tetrasodium 6-[[2-[(7-oxidoperoxysulfanyl-5-sulfonato-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate CAS Name: tetrasodium 6-[[[2-[[[7-(oxidodioxythio)-5-sulfonato-2-naphthalenyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-1,3-disulfonate IUPAC Name: tetrasodium 6-[[2-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate Traditional Name: tetrasodium 6-[[2-[[7-(oxidoperoxythio)-5-sulfonato-2-naphthyl]carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonate Formula: C28H16N2Na4O14S4 MolecularWeight: 824.65072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)[O-])SOO[O-])C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)[O-])SOO[O-])C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H20N2O14S4.4Na/c31-27(29-17-5-7-21-15(9-17)11-19(45-44-43-33)13-25(21)47(37,38)39)23-3-1-2-4-24(23)28(32)30-18-6-8-22-16(10-18)12-20(46(34,35)36)14-26(22)48(40,41)42;;;;/h1-14,33H,(H,29,31)(H,30,32)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4