tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate

C114H129N41Na4O52S13 — CID 157305630

About tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate

tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate (PubChem CID 157305630) has the molecular formula C114H129N41Na4O52S13 and a molecular weight of 3414.35 g/mol. Its IUPAC name is tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate.

Molecular Properties

• Compound Name: tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate
• PubChem CID: 157305630
• Molecular Formula: C114H129N41Na4O52S13
• Molecular Weight: 3414.35 g/mol
• Exact Mass: 3411.47
• IUPAC Name: tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate
• SMILES: Cc1ccc(Nc2ccnc(Nc3ccc4c(C)cc(C)cc4c3)n2)cc1.NOC(=O)c1ccc2cc(C(=O)ON)ccc2c1.NOS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)ON)cc2)cc1.NOS(=O)(=O)c1ccc2c(S(=O)(=O)ON)cc(S(=O)(=O)ON)cc2c1.NOS(=O)(=O)c1cccc2c(S(=O)(=O)ON)cccc12.O=C(O)c1ccccc1Nc1nc(NCCO)nc(NCC(O)CO)n1.O=S(=O)(O)CCNc1nc(NCC(O)CO)nc(NNc2nc(NCCSOOO)nc(NCC(O)CO)n2)n1.O=S(=O)([O-])CCNc1nc(Nc2cccc(Nc3nc(N=CCSOO[O-])nc(S(=O)(=O)[O-])n3)c2)nc(S(=O)(=O)[O-])n1.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C23H22N4.C16H30N12O10S2.C16H18N10O12S4.C15H20N6O5.C12H12N2O6S2.C12H10N2O4.C10H11N3O9S3.C10H10N2O6S2.4Na/c1-15-4-6-19(7-5-15)25-22-10-11-24-23(27-22)26-20-8-9-21-17(3)12-16(2)13-18(21)14-20;29-7-9(31)5-19-13-21-11(17-1-3-39-38-37-33)23-15(25-13)27-28-16-24-12(18-2-4-40(34,35)36)22-14(26-16)20-6-10(32)8-30;27-37-38-39-6-4-17-11-21-13(25-15(23-11)41(31,32)33)19-9-2-1-3-10(8-9)20-14-22-12(18-5-7-40(28,29)30)24-16(26-14)42(34,35)36;22-6-5-16-13-19-14(17-7-9(24)8-23)21-15(20-13)18-11-4-2-1-3-10(11)12(25)26;13-19-21(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)22(17,18)20-14;13-17-11(15)9-3-1-7-5-10(12(16)18-14)4-2-8(7)6-9;11-20-23(14,15)7-1-2-9-6(3-7)4-8(24(16,17)21-12)5-10(9)25(18,19)22-13;11-17-19(13,14)9-5-1-3-7-8(9)4-2-6-10(7)20(15,16)18-12;;;;/h4-14H,1-3H3,(H2,24,25,26,27);9-10,29-33H,1-8H2,(H,34,35,36)(H3,17,19,21,23,25,27)(H3,18,20,22,24,26,28);1-4,8,27H,5-7H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,19,21,23,25)(H2,18,20,22,24,26);1-4,9,22-24H,5-8H2,(H,25,26)(H3,16,17,18,19,20,21);1-8H,13-14H2;1-6H,13-14H2;1-5H,11-13H2;1-6H,11-12H2;;;;/q;;;;;;;;4*+1/p-4
• InChIKey: BCKWPECCTWYXNV-UHFFFAOYSA-J
• XLogP: -11.78
• TPSA: 1475.37 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 93
• Rotatable Bonds: 67
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3414.35
LogP ≤ 5	-11.78
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	93

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

The IUPAC name of tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate (CID 157305630) is tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate.

What is the SMILES notation for tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

The canonical SMILES for tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate is Cc1ccc(Nc2ccnc(Nc3ccc4c(C)cc(C)cc4c3)n2)cc1.NOC(=O)c1ccc2cc(C(=O)ON)ccc2c1.NOS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)ON)cc2)cc1.NOS(=O)(=O)c1ccc2c(S(=O)(=O)ON)cc(S(=O)(=O)ON)cc2c1.NOS(=O)(=O)c1cccc2c(S(=O)(=O)ON)cccc12.O=C(O)c1ccccc1Nc1nc(NCCO)nc(NCC(O)CO)n1.O=S(=O)(O)CCNc1nc(NCC(O)CO)nc(NNc2nc(NCCSOOO)nc(NCC(O)CO)n2)n1.O=S(=O)([O-])CCNc1nc(Nc2cccc(Nc3nc(N=CCSOO[O-])nc(S(=O)(=O)[O-])n3)c2)nc(S(=O)(=O)[O-])n1.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

The InChIKey is BCKWPECCTWYXNV-UHFFFAOYSA-J. The full InChI is InChI=1S/C23H22N4.C16H30N12O10S2.C16H18N10O12S4.C15H20N6O5.C12H12N2O6S2.C12H10N2O4.C10H11N3O9S3.C10H10N2O6S2.4Na/c1-15-4-6-19(7-5-15)25-22-10-11-24-23(27-22)26-20-8-9-21-17(3)12-16(2)13-18(21)14-20;29-7-9(31)5-19-13-21-11(17-1-3-39-38-37-33)23-15(25-13)27-28-16-24-12(18-2-4-40(34,35)36)22-14(26-16)20-6-10(32)8-30;27-37-38-39-6-4-17-11-21-13(25-15(23-11)41(31,32)33)19-9-2-1-3-10(8-9)20-14-22-12(18-5-7-40(28,29)30)24-16(26-14)42(34,35)36;22-6-5-16-13-19-14(17-7-9(24)8-23)21-15(20-13)18-11-4-2-1-3-10(11)12(25)26;13-19-21(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)22(17,18)20-14;13-17-11(15)9-3-1-7-5-10(12(16)18-14)4-2-8(7)6-9;11-20-23(14,15)7-1-2-9-6(3-7)4-8(24(16,17)21-12)5-10(9)25(18,19)22-13;11-17-19(13,14)9-5-1-3-7-8(9)4-2-6-10(7)20(15,16)18-12;;;;/h4-14H,1-3H3,(H2,24,25,26,27);9-10,29-33H,1-8H2,(H,34,35,36)(H3,17,19,21,23,25,27)(H3,18,20,22,24,26,28);1-4,8,27H,5-7H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,19,21,23,25)(H2,18,20,22,24,26);1-4,9,22-24H,5-8H2,(H,25,26)(H3,16,17,18,19,20,21);1-8H,13-14H2;1-6H,13-14H2;1-5H,11-13H2;1-6H,11-12H2;;;;/q;;;;;;;;4*+1/p-4.

What are the key properties of tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate has a molecular weight of 3414.35 g/mol, XLogP of -11.78, 67 rotatable bonds, 33 hydrogen bond donors, and 93 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;2-[[4-(2,3-dihydroxypropylamino)-6-[2-[4-(2,3-dihydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]hydrazinyl]-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2-N-(5,7-dimethylnaphthalen-2-yl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;4-[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]amino]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate is sourced from PubChem (CID 157305630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).