dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate

C23H14Cs2O6 — CID 54702486

IUPACdicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate
SMILESO=C(O)c1cc2ccccc2c(Cc2c([O-])c(C(=O)O)cc3ccccc23)c1[O-].[Cs+].[Cs+]
InChIInChI=1S/C23H16O6.2Cs/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2
InChIKeyCYDFAMLPBMJQMJ-UHFFFAOYSA-L
MW652.17 g/mol
LogP-2.86
Rot. Bonds4

About dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate

dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate (PubChem CID 54702486) has the molecular formula C23H14Cs2O6 and a molecular weight of 652.17 g/mol. Its IUPAC name is dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate.

Molecular Properties

Compound Namedicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate
PubChem CID54702486
Molecular FormulaC23H14Cs2O6
Molecular Weight652.17 g/mol
Exact Mass651.89
IUPAC Namedicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate
SMILESO=C(O)c1cc2ccccc2c(Cc2c([O-])c(C(=O)O)cc3ccccc23)c1[O-].[Cs+].[Cs+]
InChIInChI=1S/C23H16O6.2Cs/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2
InChIKeyCYDFAMLPBMJQMJ-UHFFFAOYSA-L
XLogP-2.86
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.17
LogP ≤ 5-2.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-hydroxybenzoic acid
CID 68631677
1-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-carboxynaphthalen-2-olate
CID 54715197
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
CID 54721974
calcium [2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]naphthalen-1-yl]methanesulfonate
CID 135666507
3-carboxy-1-[[3-[(2R)-1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxycarbonyl-2-hydroxynaphthalen-1-yl]methyl]naphthalen-2-olate
CID 173158114
aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
CID 54682510
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
bis(4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid);tetrakis(N,N-dimethylformamide)
CID 139194967
copper bis(3-carboxy-1-phenyldiazenylnaphthalen-2-olate)
CID 175731451

Frequently Asked Questions

What is the IUPAC name of dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate?
The IUPAC name of dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate (CID 54702486) is dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate.
What is the SMILES notation for dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate?
The canonical SMILES for dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate is O=C(O)c1cc2ccccc2c(Cc2c([O-])c(C(=O)O)cc3ccccc23)c1[O-].[Cs+].[Cs+].
What is the InChIKey of dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate?
The InChIKey is CYDFAMLPBMJQMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H16O6.2Cs/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2.
What are the key properties of dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate?
dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate has a molecular weight of 652.17 g/mol, XLogP of -2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate is sourced from PubChem (CID 54702486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).