hexasodium 3-oxidanidylperoxysulfanyl-8-[[7-[(8-oxidanidylperoxysulfanyl-3,6-disulfonato-naphthalen-1-yl)carbamoyl]naphthalen-2-yl]carbonylamino]naphthalene-1,6-disulfonate

Systemtic Name: hexasodium 3-oxidanidylperoxysulfanyl-8-[[7-[(8-oxidanidylperoxysulfanyl-3,6-disulfonato-naphthalen-1-yl)carbamoyl]naphthalen-2-yl]carbonylamino]naphthalene-1,6-disulfonate Openeye Name: hexasodium 3-oxidoperoxysulfanyl-8-[[7-[(8-oxidoperoxysulfanyl-3,6-disulfonato-1-naphthyl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-1,6-disulfonate CAS Name: hexasodium 3-(oxidodioxythio)-8-[[[7-[[[8-(oxidodioxythio)-3,6-disulfonato-1-naphthalenyl]amino]-oxomethyl]-2-naphthalenyl]-oxomethyl]amino]naphthalene-1,6-disulfonate IUPAC Name: hexasodium 3-oxidoperoxysulfanyl-8-[[7-[(8-oxidoperoxysulfanyl-3,6-disulfonatonaphthalen-1-yl)carbamoyl]naphthalene-2-carbonyl]amino]naphthalene-1,6-disulfonate Traditional Name: hexasodium 3-(oxidoperoxythio)-8-[[7-[[8-(oxidoperoxythio)-3,6-disulfonato-1-naphthyl]carbamoyl]-2-naphthoyl]amino]naphthalene-1,6-disulfonate Formula: C32H16N2Na6O20S6 MolecularWeight: 1078.79946

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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=C4SOO[O-])S(=O)(=O)[O-])C(=O)NC5=CC(=CC6=CC(=CC(=C65)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[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=C4SOO[O-])S(=O)(=O)[O-])C(=O)NC5=CC(=CC6=CC(=CC(=C65)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H22N2O20S6.6Na/c35-31(33-25-12-23(58(42,43)44)9-20-10-24(59(45,46)47)14-27(29(20)25)56-54-52-38)16-3-1-15-2-4-17(6-18(15)5-16)32(36)34-26-13-22(57(39,40)41)8-19-7-21(55-53-51-37)11-28(30(19)26)60(48,49)50;;;;;;/h1-14,37-38H,(H,33,35)(H,34,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;;/q;6*+1/p-6