4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)

C145H186N13O47S13+3 — CID 159186618

About 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)

4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide) (PubChem CID 159186618) has the molecular formula C145H186N13O47S13+3 and a molecular weight of 3280.00 g/mol. Its IUPAC name is 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide).

Molecular Properties

• Compound Name: 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)
• PubChem CID: 159186618
• Molecular Formula: C145H186N13O47S13+3
• Molecular Weight: 3280.00 g/mol
• Exact Mass: 3276.89
• IUPAC Name: 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)
• SMILES: CCCCN1C(=CC=C2C=C(C=Cc3sc4ccccc4[n+]3CCC)CC(C(=O)NCCCCCC(=O)O)(C(=O)NCCS(=O)(=O)O)C2)C(C)(C)c2ccccc21.CCCC[N+]1=C(/C=C/C2=C/C(=C/C=C3/N(CCC)c4ccc(S(=O)(=O)N(C)CCCC(=O)O)cc4C3(C)C)CC(C(=O)NCC)(C(=O)NCCS(=O)(=O)O)C2)C(C)(C)c2ccccc21.CCN1/C(=C/C=C2/C=C(/C=C/C3=[N+](CC)c4ccc5c(C)cc(S(=O)(=O)O)cc5c4C3(C)C)CC(C(=O)NCCCCCC(=O)O)(C(=O)NCCS(=O)(=O)O)C2)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
• InChI: InChI=1S/C53H62N4O16S4.C48H65N5O9S2.C44H56N4O7S2.5O3S/c1-8-56-41-18-16-37-32(3)25-35(75(65,66)67)27-39(37)47(41)51(4,5)44(56)20-14-33-26-34(31-53(30-33,50(61)55-23-24-74(62,63)64)49(60)54-22-12-10-11-13-46(58)59)15-21-45-52(6,7)48-40-28-36(76(68,69)70)29-43(77(71,72)73)38(40)17-19-42(48)57(45)9-2;1-9-12-28-53-39-17-14-13-16-37(39)46(4,5)41(53)23-19-34-30-35(33-48(32-34,44(56)49-11-3)45(57)50-25-29-63(58,59)60)20-24-42-47(6,7)38-31-36(21-22-40(38)52(42)26-10-2)64(61,62)51(8)27-15-18-43(54)55;1-5-7-27-47-35-16-11-10-15-34(35)43(3,4)38(47)22-20-32-29-33(21-23-39-48(26-6-2)36-17-12-13-18-37(36)56-39)31-44(30-32,42(52)46-25-28-57(53,54)55)41(51)45-24-14-8-9-19-40(49)50;5*1-4(2)3/h14-21,25-29H,8-13,22-24,30-31H2,1-7H3,(H6-,54,55,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73);13-14,16-17,19-24,30-31H,9-12,15,18,25-29,32-33H2,1-8H3,(H3-,49,50,54,55,56,57,58,59,60);10-13,15-18,20-23,29H,5-9,14,19,24-28,30-31H2,1-4H3,(H3-,45,46,49,50,51,52,53,54,55);;;;;/p+3
• InChIKey: UNVBXHQOWINQCL-UHFFFAOYSA-Q
• XLogP: 16.33
• TPSA: 925.77 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 42
• Rotatable Bonds: 58
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3280.00
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)?

The IUPAC name of 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide) (CID 159186618) is 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide).

What is the SMILES notation for 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)?

The canonical SMILES for 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide) is CCCCN1C(=CC=C2C=C(C=Cc3sc4ccccc4[n+]3CCC)CC(C(=O)NCCCCCC(=O)O)(C(=O)NCCS(=O)(=O)O)C2)C(C)(C)c2ccccc21.CCCC[N+]1=C(/C=C/C2=C/C(=C/C=C3/N(CCC)c4ccc(S(=O)(=O)N(C)CCCC(=O)O)cc4C3(C)C)CC(C(=O)NCC)(C(=O)NCCS(=O)(=O)O)C2)C(C)(C)c2ccccc21.CCN1/C(=C/C=C2/C=C(/C=C/C3=[N+](CC)c4ccc5c(C)cc(S(=O)(=O)O)cc5c4C3(C)C)CC(C(=O)NCCCCCC(=O)O)(C(=O)NCCS(=O)(=O)O)C2)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.

What is the InChIKey of 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)?

The InChIKey is UNVBXHQOWINQCL-UHFFFAOYSA-Q. The full InChI is InChI=1S/C53H62N4O16S4.C48H65N5O9S2.C44H56N4O7S2.5O3S/c1-8-56-41-18-16-37-32(3)25-35(75(65,66)67)27-39(37)47(41)51(4,5)44(56)20-14-33-26-34(31-53(30-33,50(61)55-23-24-74(62,63)64)49(60)54-22-12-10-11-13-46(58)59)15-21-45-52(6,7)48-40-28-36(76(68,69)70)29-43(77(71,72)73)38(40)17-19-42(48)57(45)9-2;1-9-12-28-53-39-17-14-13-16-37(39)46(4,5)41(53)23-19-34-30-35(33-48(32-34,44(56)49-11-3)45(57)50-25-29-63(58,59)60)20-24-42-47(6,7)38-31-36(21-22-40(38)52(42)26-10-2)64(61,62)51(8)27-15-18-43(54)55;1-5-7-27-47-35-16-11-10-15-34(35)43(3,4)38(47)22-20-32-29-33(21-23-39-48(26-6-2)36-17-12-13-18-37(36)56-39)31-44(30-32,42(52)46-25-28-57(53,54)55)41(51)45-24-14-8-9-19-40(49)50;5*1-4(2)3/h14-21,25-29H,8-13,22-24,30-31H2,1-7H3,(H6-,54,55,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73);13-14,16-17,19-24,30-31H,9-12,15,18,25-29,32-33H2,1-8H3,(H3-,49,50,54,55,56,57,58,59,60);10-13,15-18,20-23,29H,5-9,14,19,24-28,30-31H2,1-4H3,(H3-,45,46,49,50,51,52,53,54,55);;;;;/p+3.

What are the key properties of 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide)?

4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide) has a molecular weight of 3280.00 g/mol, XLogP of 16.33, 58 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2E)-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-(ethylcarbamoyl)-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindol-5-yl]sulfonyl-methylamino]butanoic acid;6-[[5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-[2-(3-propyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;6-[[(5E)-5-[(2E)-2-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)ethylidene]-3-[(E)-2-(3-ethyl-1,1,6-trimethyl-8-sulfobenzo[e]indol-3-ium-2-yl)ethenyl]-1-(2-sulfoethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]hexanoic acid;pentakis(sulfur trioxide) is sourced from PubChem (CID 159186618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).