pentasodium 3-[(5,7-disulfonatonaphthalen-2-yl)carbamoyl]-5-[(7-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]benzoate

Systemtic Name: pentasodium 3-[(5,7-disulfonatonaphthalen-2-yl)carbamoyl]-5-[(7-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]benzoate Openeye Name: pentasodium 3-[(5,7-disulfonato-2-naphthyl)carbamoyl]-5-[(7-oxidoperoxysulfanyl-5-sulfonato-2-naphthyl)carbamoyl]benzoate CAS Name: pentasodium 3-[[(5,7-disulfonato-2-naphthalenyl)amino]-oxomethyl]-5-[[[7-(oxidodioxythio)-5-sulfonato-2-naphthalenyl]amino]-oxomethyl]benzoate IUPAC Name: pentasodium 3-[(5,7-disulfonatonaphthalen-2-yl)carbamoyl]-5-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]benzoate Traditional Name: pentasodium 3-[(5,7-disulfonato-2-naphthyl)carbamoyl]-5-[[7-(oxidoperoxythio)-5-sulfonato-2-naphthyl]carbamoyl]benzoate Formula: C29H15N2Na5O16S4 MolecularWeight: 890.64205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C29H20N2O16S4.5Na/c32-27(30-19-1-3-23-14(8-19)10-21(48-47-46-36)12-25(23)50(40,41)42)16-5-17(7-18(6-16)29(34)35)28(33)31-20-2-4-24-15(9-20)11-22(49(37,38)39)13-26(24)51(43,44)45;;;;;/h1-13,36H,(H,30,32)(H,31,33)(H,34,35)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;;/q;5*+1/p-5