tetrasodium 6-[[10-[(7-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]anthracen-9-yl]carbonylamino]naphthalene-1,3-disulfonate

Systemtic Name: tetrasodium 6-[[10-[(7-oxidanidylperoxysulfanyl-5-sulfonato-naphthalen-2-yl)carbamoyl]anthracen-9-yl]carbonylamino]naphthalene-1,3-disulfonate Openeye Name: tetrasodium 6-[[10-[(7-oxidoperoxysulfanyl-5-sulfonato-2-naphthyl)carbamoyl]anthracene-9-carbonyl]amino]naphthalene-1,3-disulfonate CAS Name: tetrasodium 6-[[[10-[[[7-(oxidodioxythio)-5-sulfonato-2-naphthalenyl]amino]-oxomethyl]-9-anthracenyl]-oxomethyl]amino]naphthalene-1,3-disulfonate IUPAC Name: tetrasodium 6-[[10-[(7-oxidoperoxysulfanyl-5-sulfonatonaphthalen-2-yl)carbamoyl]anthracene-9-carbonyl]amino]naphthalene-1,3-disulfonate Traditional Name: tetrasodium 6-[[10-[[7-(oxidoperoxythio)-5-sulfonato-2-naphthyl]carbamoyl]anthracene-9-carbonyl]amino]naphthalene-1,3-disulfonate Formula: C36H20N2Na4O14S4 MolecularWeight: 924.76808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC6=CC7=CC(=CC(=C7C=C6)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC6=CC7=CC(=CC(=C7C=C6)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H24N2O14S4.4Na/c39-35(37-21-9-11-25-19(13-21)15-23(53-52-51-41)17-31(25)55(45,46)47)33-27-5-1-3-7-29(27)34(30-8-4-2-6-28(30)33)36(40)38-22-10-12-26-20(14-22)16-24(54(42,43)44)18-32(26)56(48,49)50;;;;/h1-18,41H,(H,37,39)(H,38,40)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4