carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)

C136H222ClN3O32Rf2 — CID 162072178

About carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)

carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium) (PubChem CID 162072178) has the molecular formula C136H222ClN3O32Rf2 and a molecular weight of 2980.71 g/mol. Its IUPAC name is carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium).

Molecular Properties

• Compound Name: carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)
• PubChem CID: 162072178
• Molecular Formula: C136H222ClN3O32Rf2
• Molecular Weight: 2980.71 g/mol
• Exact Mass: 2978.80
• IUPAC Name: carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)
• SMILES: CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(C)CCC(C)(C)C(O)/C=C/C1C.CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(C)CCC(C)(C)C(OC(=O)N(C)C)/C=C/C1C.CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(C)CCC(C)(C)C(OC(=O)O)/C=C/C1C.CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(O)CCC(C)(O)C(OC(=O)N(C)C)/C=C/C1C.CNC.O=C(O)Cl.[Rf].[Rf]
• InChI: InChI=1S/C35H57NO7.C33H53NO9.C33H52O8.C32H52O6.C2H7N.CHClO2.2Rf/c1-12-28(40-27(7)37)26(6)33-29(41-33)20-22(2)14-13-15-24(4)32-25(5)16-17-30(42-34(39)36(10)11)35(8,9)19-18-23(3)21-31(38)43-32;1-10-26(40-24(6)35)23(5)31-27(41-31)18-20(2)12-11-13-21(3)30-22(4)14-15-28(42-32(38)34(8)9)33(7,39)17-16-25(36)19-29(37)43-30;1-10-26(38-25(7)34)24(6)31-27(39-31)18-20(2)12-11-13-22(4)30-23(5)14-15-28(40-32(36)37)33(8,9)17-16-21(3)19-29(35)41-30;1-10-26(36-25(7)33)24(6)31-27(37-31)18-20(2)12-11-13-22(4)30-23(5)14-15-28(34)32(8,9)17-16-21(3)19-29(35)38-30;1-3-2;2-1(3)4;;/h13-17,22-23,25-26,28-30,32-33H,12,18-21H2,1-11H3;11-15,20,22-23,25-28,30-31,36,39H,10,16-19H2,1-9H3;11-15,20-21,23-24,26-28,30-31H,10,16-19H2,1-9H3,(H,36,37);11-15,20-21,23-24,26-28,30-31,34H,10,16-19H2,1-9H3;3H,1-2H3;(H,3,4);;/b14-13+,17-16+,24-15+;12-11+,15-14+,21-13+;2*12-11+,15-14+,22-13+
• InChIKey: XSMROPLCUYOMGY-MJJVYMJRSA-N
• XLogP: 26.59
• TPSA: 476.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 39
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2980.71
LogP ≤ 5	26.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)?

The IUPAC name of carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium) (CID 162072178) is carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium).

What is the SMILES notation for carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)?

The canonical SMILES for carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium) is CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(C)CCC(C)(C)C(O)/C=C/C1C.CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(C)CCC(C)(C)C(OC(=O)N(C)C)/C=C/C1C.CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(C)CCC(C)(C)C(OC(=O)O)/C=C/C1C.CCC(OC(C)=O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(O)CCC(C)(O)C(OC(=O)N(C)C)/C=C/C1C.CNC.O=C(O)Cl.[Rf].[Rf].

What is the InChIKey of carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)?

The InChIKey is XSMROPLCUYOMGY-MJJVYMJRSA-N. The full InChI is InChI=1S/C35H57NO7.C33H53NO9.C33H52O8.C32H52O6.C2H7N.CHClO2.2Rf/c1-12-28(40-27(7)37)26(6)33-29(41-33)20-22(2)14-13-15-24(4)32-25(5)16-17-30(42-34(39)36(10)11)35(8,9)19-18-23(3)21-31(38)43-32;1-10-26(40-24(6)35)23(5)31-27(41-31)18-20(2)12-11-13-21(3)30-22(4)14-15-28(42-32(38)34(8)9)33(7,39)17-16-25(36)19-29(37)43-30;1-10-26(38-25(7)34)24(6)31-27(39-31)18-20(2)12-11-13-22(4)30-23(5)14-15-28(40-32(36)37)33(8,9)17-16-21(3)19-29(35)41-30;1-10-26(36-25(7)33)24(6)31-27(37-31)18-20(2)12-11-13-22(4)30-23(5)14-15-28(34)32(8,9)17-16-21(3)19-29(35)38-30;1-3-2;2-1(3)4;;/h13-17,22-23,25-26,28-30,32-33H,12,18-21H2,1-11H3;11-15,20,22-23,25-28,30-31,36,39H,10,16-19H2,1-9H3;11-15,20-21,23-24,26-28,30-31H,10,16-19H2,1-9H3,(H,36,37);11-15,20-21,23-24,26-28,30-31,34H,10,16-19H2,1-9H3;3H,1-2H3;(H,3,4);;/b14-13+,17-16+,24-15+;12-11+,15-14+,21-13+;2*12-11+,15-14+,22-13+;;;;.

What are the key properties of carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium)?

carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium) has a molecular weight of 2980.71 g/mol, XLogP of 26.59, 39 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for carbonochloridic acid;2-[3-[(3E,5E)-6-[(4E)-6-carboxyoxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-(dimethylcarbamoyloxy)-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;2-[3-[(3E,5E)-6-[(4E)-6-hydroxy-3,7,7,10-tetramethyl-12-oxo-1-oxacyclododec-4-en-2-yl]-2-methylhepta-3,5-dienyl]oxiran-2-yl]pentan-3-yl acetate;N-methylmethanamine;bis(rutherfordium) is sourced from PubChem (CID 162072178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).