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

Systemtic Name: hexasodium 3-oxidanidylperoxysulfanyl-7-[[3-[(3-oxidanidylperoxysulfanyl-6,8-disulfonato-naphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,6-disulfonate Openeye Name: hexasodium 3-oxidoperoxysulfanyl-7-[[3-[(3-oxidoperoxysulfanyl-6,8-disulfonato-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,6-disulfonate CAS Name: hexasodium 3-(oxidodioxythio)-7-[[[3-[[[3-(oxidodioxythio)-6,8-disulfonato-2-naphthalenyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-1,6-disulfonate IUPAC Name: hexasodium 3-oxidoperoxysulfanyl-7-[[3-[(3-oxidoperoxysulfanyl-6,8-disulfonatonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,6-disulfonate Traditional Name: hexasodium 3-(oxidoperoxythio)-7-[[3-[[3-(oxidoperoxythio)-6,8-disulfonato-2-naphthyl]carbamoyl]benzoyl]amino]naphthalene-1,6-disulfonate Formula: C28H14N2Na6O20S6 MolecularWeight: 1028.74078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])C(=O)NC4=C(C=C5C=C(C=C(C5=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])C(=O)NC4=C(C=C5C=C(C=C(C5=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H20N2O20S6.6Na/c31-27(29-21-11-19-16(7-23(21)52-50-48-34)6-18(53(35,36)37)10-25(19)55(41,42)43)13-2-1-3-14(4-13)28(32)30-22-12-20-15(8-26(22)56(44,45)46)5-17(51-49-47-33)9-24(20)54(38,39)40;;;;;;/h1-12,33-34H,(H,29,31)(H,30,32)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;;;/q;6*+1/p-6