tetrasodium 4-[[7-[(6-oxidanidylperoxysulfanyl-8-oxidanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]naphthalen-2-yl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium 4-[[7-[(6-oxidanidylperoxysulfanyl-8-oxidanyl-3-sulfonato-naphthalen-1-yl)carbamoyl]naphthalen-2-yl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: tetrasodium 4-hydroxy-5-[[7-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonato-1-naphthyl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-2,7-disulfonate CAS Name: tetrasodium 4-hydroxy-5-[[[7-[[[8-hydroxy-6-(oxidodioxythio)-3-sulfonato-1-naphthalenyl]amino]-oxomethyl]-2-naphthalenyl]-oxomethyl]amino]naphthalene-2,7-disulfonate IUPAC Name: tetrasodium 4-hydroxy-5-[[7-[(8-hydroxy-6-oxidoperoxysulfanyl-3-sulfonatonaphthalen-1-yl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-2,7-disulfonate Traditional Name: tetrasodium 4-hydroxy-5-[[7-[[8-hydroxy-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]carbamoyl]-2-naphthoyl]amino]naphthalene-2,7-disulfonate Formula: C32H18N2Na4O16S4 MolecularWeight: 906.7082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-])C(=O)NC5=CC(=CC6=CC(=CC(=C65)O)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-])C(=O)NC5=CC(=CC6=CC(=CC(=C65)O)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H22N2O16S4.4Na/c35-27-11-21(51-50-49-39)7-19-8-22(52(40,41)42)12-25(29(19)27)33-31(37)16-3-1-15-2-4-17(6-18(15)5-16)32(38)34-26-13-23(53(43,44)45)9-20-10-24(54(46,47)48)14-28(36)30(20)26;;;;/h1-14,35-36,39H,(H,33,37)(H,34,38)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4