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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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