AD86651
882847-05-4 | 15-Tritylmercapto-4,7,10,13-tetraoxapentadecanoic acid monohydrate
Manufacturer: A2B Chem
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CatalogNumber
AD86651
ChemicalName
15-Tritylmercapto-4,7,10,13-tetraoxapentadecanoic acid monohydrate
CasNumber
882847-05-4
MolecularFormula
C30H38O7S
MolecularWeight
542.6835
MdlNumber
MFCD08457832
Smiles
OC(=O)CCOCCOCCOCCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.O
Complexity
539
Covalently-bondedUnitCount
2
HeavyAtomCount
38
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
19
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CatalogNumber: AD86651
ChemicalName: 15-Tritylmercapto-4,7,10,13-tetraoxapentadecanoic acid monohydrate
CasNumber: 882847-05-4
MolecularFormula: C30H38O7S
MolecularWeight: 542.6835
MdlNumber: MFCD08457832
Smiles: OC(=O)CCOCCOCCOCCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.O
Complexity: 539
Covalently-bondedUnitCount: 2
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 19
CatalogNumber:
AD86651
ChemicalName:
15-Tritylmercapto-4,7,10,13-tetraoxapentadecanoic acid monohydrate
CasNumber:
882847-05-4
MolecularFormula:
C30H38O7S
MolecularWeight:
542.6835
MdlNumber:
MFCD08457832
Smiles:
OC(=O)CCOCCOCCOCCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.O
Complexity:
539
Covalently-bondedUnitCount:
2
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
19
CatalogNumber: __
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MolecularFormula: __
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Smiles: CO/N=C(/c1ccc(cc1Cl)Cl)Cc1cccnc1
Complexity: __
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Smiles:
CO/N=C(/c1ccc(cc1Cl)Cl)Cc1cccnc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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MolecularFormula: __
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Smiles: Oc1ccc2c(c1)OC(=C(C)C)C2=O
Complexity: __
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CasNumber:
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Smiles:
Oc1ccc2c(c1)OC(=C(C)C)C2=O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Oc1cc2c(C=O)n[nH]c2cc1
Complexity: __
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HydrogenBondAcceptorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1cc2c(C=O)n[nH]c2cc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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