AE08271
117961-21-4 | MES hemisodium salt
Manufacturer: A2B Chem
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CatalogNumber
AE08271
ChemicalName
MES hemisodium salt
CasNumber
117961-21-4
MolecularFormula
C12H25N2NaO8S2
MolecularWeight
412.4552699999998
MdlNumber
MFCD00079460
Smiles
[O-]S(=O)(=O)CCN1CCOCC1.OS(=O)(=O)CCN1CCOCC1.[Na+]
Complexity
434
Covalently-bondedUnitCount
3
HeavyAtomCount
25
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
6
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CatalogNumber: AE08271
ChemicalName: MES hemisodium salt
CasNumber: 117961-21-4
MolecularFormula: C12H25N2NaO8S2
MolecularWeight: 412.4552699999998
MdlNumber: MFCD00079460
Smiles: [O-]S(=O)(=O)CCN1CCOCC1.OS(=O)(=O)CCN1CCOCC1.[Na+]
Complexity: 434
Covalently-bondedUnitCount: 3
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AE08271
ChemicalName:
MES hemisodium salt
CasNumber:
117961-21-4
MolecularFormula:
C12H25N2NaO8S2
MolecularWeight:
412.4552699999998
MdlNumber:
MFCD00079460
Smiles:
[O-]S(=O)(=O)CCN1CCOCC1.OS(=O)(=O)CCN1CCOCC1.[Na+]
Complexity:
434
Covalently-bondedUnitCount:
3
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: OCCN(CC(CS(=O)(=O)[O-])O)CCO.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
OCCN(CC(CS(=O)(=O)[O-])O)CCO.[Na+]
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1cccc(c1)C1CCNCC1
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Smiles:
Cc1cccc(c1)C1CCNCC1
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CasNumber: __
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MolecularWeight: __
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Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__