AI32030
135459-87-9 | 2-(4,8-dioxo-1,3-dioxa-6-aza-2-strontacyclooctan-6-yl)-5,9-dioxo-4H,5H,9H-thieno[2,3-e]1,3-dioxa-2-strontacyclooctane-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI32030
ChemicalName
2-(4,8-dioxo-1,3-dioxa-6-aza-2-strontacyclooctan-6-yl)-5,9-dioxo-4H,5H,9H-thieno[2,3-e]1,3-dioxa-2-strontacyclooctane-3-carbonitrile
CasNumber
135459-87-9
MolecularFormula
C12H6N2O8SSr2
MolecularWeight
513.4896
MdlNumber
MFCD12031997
Smiles
N#Cc1c(sc(c1CC(=O)[O-])C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Sr+2].[Sr+2]
Complexity
533
Covalently-bondedUnitCount
3
HeavyAtomCount
25
HydrogenBondAcceptorCount
11
RotatableBondCount
4
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CatalogNumber: AI32030
ChemicalName: 2-(4,8-dioxo-1,3-dioxa-6-aza-2-strontacyclooctan-6-yl)-5,9-dioxo-4H,5H,9H-thieno[2,3-e]1,3-dioxa-2-strontacyclooctane-3-carbonitrile
CasNumber: 135459-87-9
MolecularFormula: C12H6N2O8SSr2
MolecularWeight: 513.4896
MdlNumber: MFCD12031997
Smiles: N#Cc1c(sc(c1CC(=O)[O-])C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Sr+2].[Sr+2]
Complexity: 533
Covalently-bondedUnitCount: 3
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 11
RotatableBondCount: 4
CatalogNumber:
AI32030
ChemicalName:
2-(4,8-dioxo-1,3-dioxa-6-aza-2-strontacyclooctan-6-yl)-5,9-dioxo-4H,5H,9H-thieno[2,3-e]1,3-dioxa-2-strontacyclooctane-3-carbonitrile
CasNumber:
135459-87-9
MolecularFormula:
C12H6N2O8SSr2
MolecularWeight:
513.4896
MdlNumber:
MFCD12031997
Smiles:
N#Cc1c(sc(c1CC(=O)[O-])C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Sr+2].[Sr+2]
Complexity:
533
Covalently-bondedUnitCount:
3
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
11
RotatableBondCount:
4
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Smiles: FCCCCCn1cc(c2c1cccc2)C(=O)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
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FCCCCCn1cc(c2c1cccc2)C(=O)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
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Smiles: COC(=O)c1[nH]cc2c1ccc(c2)F
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COC(=O)c1[nH]cc2c1ccc(c2)F
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Smiles: O=C(OC(C)(C)C)NCCCC(=O)c1ccc(cc1)Cl
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Smiles:
O=C(OC(C)(C)C)NCCCC(=O)c1ccc(cc1)Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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