lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate

C118H131LiN36Na4O55S14 — CID 162190920

About lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate

lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate (PubChem CID 162190920) has the molecular formula C118H131LiN36Na4O55S14 and a molecular weight of 3481.38 g/mol. Its IUPAC name is lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate.

Molecular Properties

• Compound Name: lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate
• PubChem CID: 162190920
• Molecular Formula: C118H131LiN36Na4O55S14
• Molecular Weight: 3481.38 g/mol
• Exact Mass: 3478.44
• IUPAC Name: lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate
• SMILES: Cc1cc(C)c2ccc(Nc3nccc(Nc4ccc(S(=O)(=O)[O-])cc4)n3)cc2c1.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)CCCc1nc(NCc2nc(CCCSOOO)nc(NCC(O)CO)n2)nc(NCC(O)CO)n1.O=S(=O)([O-])CCNc1nc(Cc2cccc(Cc3nc(N=CCSOO[O-])nc(S(=O)(=O)[O-])n3)c2)nc(S(=O)(=O)[O-])n1.[Li+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C22H20N4O3S.C19H33N9O10S2.C18H20N8O12S4.C15H20N6O5.C12H12N2O6S2.C12H10N2O4.C10H11N3O9S3.C10H10N2O6S2.Li.4Na/c1-14-11-15(2)20-8-5-18(13-16(20)12-14)25-22-23-10-9-21(26-22)24-17-3-6-19(7-4-17)30(27,28)29;29-10-12(31)7-20-17-24-14(3-1-5-39-38-37-33)23-16(27-17)9-22-19-26-15(4-2-6-40(34,35)36)25-18(28-19)21-8-13(32)11-30;27-37-38-39-6-4-19-15-21-13(23-17(25-15)41(31,32)33)9-11-2-1-3-12(8-11)10-14-22-16(20-5-7-40(28,29)30)26-18(24-14)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;;;;;/h3-13H,1-2H3,(H,27,28,29)(H2,23,24,25,26);12-13,29-33H,1-11H2,(H,34,35,36)(H,20,23,24,27)(H2,21,22,25,26,28);1-4,8,27H,5-7,9-10H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,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;;;;;;;;5*+1/p-5
• InChIKey: ZQHCKYNNNGIJOK-UHFFFAOYSA-I
• XLogP: -15.27
• TPSA: 1472.42 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 91
• Rotatable Bonds: 68
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3481.38
LogP ≤ 5	-15.27
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	91

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 lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

The IUPAC name of lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate (CID 162190920) is lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate.

What is the SMILES notation for lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

The canonical SMILES for lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate is Cc1cc(C)c2ccc(Nc3nccc(Nc4ccc(S(=O)(=O)[O-])cc4)n3)cc2c1.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)CCCc1nc(NCc2nc(CCCSOOO)nc(NCC(O)CO)n2)nc(NCC(O)CO)n1.O=S(=O)([O-])CCNc1nc(Cc2cccc(Cc3nc(N=CCSOO[O-])nc(S(=O)(=O)[O-])n3)c2)nc(S(=O)(=O)[O-])n1.[Li+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

The InChIKey is ZQHCKYNNNGIJOK-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H20N4O3S.C19H33N9O10S2.C18H20N8O12S4.C15H20N6O5.C12H12N2O6S2.C12H10N2O4.C10H11N3O9S3.C10H10N2O6S2.Li.4Na/c1-14-11-15(2)20-8-5-18(13-16(20)12-14)25-22-23-10-9-21(26-22)24-17-3-6-19(7-4-17)30(27,28)29;29-10-12(31)7-20-17-24-14(3-1-5-39-38-37-33)23-16(27-17)9-22-19-26-15(4-2-6-40(34,35)36)25-18(28-19)21-8-13(32)11-30;27-37-38-39-6-4-19-15-21-13(23-17(25-15)41(31,32)33)9-11-2-1-3-12(8-11)10-14-22-16(20-5-7-40(28,29)30)26-18(24-14)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;;;;;/h3-13H,1-2H3,(H,27,28,29)(H2,23,24,25,26);12-13,29-33H,1-11H2,(H,34,35,36)(H,20,23,24,27)(H2,21,22,25,26,28);1-4,8,27H,5-7,9-10H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,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;;;;;;;;5*+1/p-5.

What are the key properties of lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate?

lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate has a molecular weight of 3481.38 g/mol, XLogP of -15.27, 68 rotatable bonds, 28 hydrogen bond donors, and 91 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;tetrasodium;amino 4-(4-aminooxysulfonylphenyl)benzenesulfonate;diamino naphthalene-2,6-dicarboxylate;diamino naphthalene-1,5-disulfonate;3-[4-(2,3-dihydroxypropylamino)-6-[[4-(2,3-dihydroxypropylamino)-6-[3-(trioxidanylsulfanyl)propyl]-1,3,5-triazin-2-yl]methylamino]-1,3,5-triazin-2-yl]propane-1-sulfonic acid;2-[[4-(2,3-dihydroxypropylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;4-[[2-[(5,7-dimethylnaphthalen-2-yl)amino]pyrimidin-4-yl]amino]benzenesulfonate;4-[[3-[[4-(2-oxidoperoxysulfanylethylideneamino)-6-sulfonato-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-6-(2-sulfonatoethylamino)-1,3,5-triazine-2-sulfonate;triamino naphthalene-1,3,6-trisulfonate is sourced from PubChem (CID 162190920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).