pentasodium 7-oxidanidylperoxysulfanyl-3-[[3-[(3-oxidanidylperoxysulfanyl-6-sulfonato-naphthalen-2-yl)carbamoyl]-5-sulfonato-phenyl]carbonylamino]naphthalene-2-sulfonate

Systemtic Name: pentasodium 7-oxidanidylperoxysulfanyl-3-[[3-[(3-oxidanidylperoxysulfanyl-6-sulfonato-naphthalen-2-yl)carbamoyl]-5-sulfonato-phenyl]carbonylamino]naphthalene-2-sulfonate Openeye Name: pentasodium 7-oxidoperoxysulfanyl-3-[[3-[(3-oxidoperoxysulfanyl-6-sulfonato-2-naphthyl)carbamoyl]-5-sulfonato-benzoyl]amino]naphthalene-2-sulfonate CAS Name: pentasodium 7-(oxidodioxythio)-3-[[[3-[[[3-(oxidodioxythio)-6-sulfonato-2-naphthalenyl]amino]-oxomethyl]-5-sulfonatophenyl]-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: pentasodium 7-oxidoperoxysulfanyl-3-[[3-[(3-oxidoperoxysulfanyl-6-sulfonatonaphthalen-2-yl)carbamoyl]-5-sulfonatobenzoyl]amino]naphthalene-2-sulfonate Traditional Name: pentasodium 7-(oxidoperoxythio)-3-[[3-[[3-(oxidoperoxythio)-6-sulfonato-2-naphthyl]carbamoyl]-5-sulfonato-benzoyl]amino]naphthalene-2-sulfonate Formula: C28H15N2Na5O17S5 MolecularWeight: 926.69575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C(C=C21)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC2=CC(=C(C=C21)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H20N2O17S5.5Na/c31-27(29-23-10-15-2-4-21(50(35,36)37)7-17(15)12-25(23)49-47-45-34)18-5-19(9-22(8-18)51(38,39)40)28(32)30-24-11-14-1-3-20(48-46-44-33)6-16(14)13-26(24)52(41,42)43;;;;;/h1-13,33-34H,(H,29,31)(H,30,32)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;;/q;5*+1/p-5