AB31312
2650-17-1 | Xylene cyanol ff
Manufacturer: A2B Chem
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CatalogNumber
AB31312
ChemicalName
Xylene cyanol ff
CasNumber
2650-17-1
MolecularFormula
C25H27N2NaO6S2
MolecularWeight
538.6114
MdlNumber
MFCD00040657
Smiles
CCN=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)S(=O)(=O)[O-])c2ccc(c(c2)C)NCC)C=C1C.[Na+]
Complexity
1120
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
7
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CatalogNumber: AB31312
ChemicalName: Xylene cyanol ff
CasNumber: 2650-17-1
MolecularFormula: C25H27N2NaO6S2
MolecularWeight: 538.6114
MdlNumber: MFCD00040657
Smiles: CCN=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)S(=O)(=O)[O-])c2ccc(c(c2)C)NCC)C=C1C.[Na+]
Complexity: 1120
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 7
CatalogNumber:
AB31312
ChemicalName:
Xylene cyanol ff
CasNumber:
2650-17-1
MolecularFormula:
C25H27N2NaO6S2
MolecularWeight:
538.6114
MdlNumber:
MFCD00040657
Smiles:
CCN=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)S(=O)(=O)[O-])c2ccc(c(c2)C)NCC)C=C1C.[Na+]
Complexity:
1120
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
7
CatalogNumber: __
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Smiles: C1=Cc2ccccc2C=CC=C1
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Smiles:
C1=Cc2ccccc2C=CC=C1
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Smiles: COc1c(C)cccc1C(=O)O
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Smiles:
COc1c(C)cccc1C(=O)O
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Smiles: OCCS(=O)(=O)c1ccc(cc1)NN
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MolecularFormula:
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Smiles:
OCCS(=O)(=O)c1ccc(cc1)NN
Complexity:
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Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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