Calcium Green-5N AM
HIT218847673
sdf文件结构编辑类似物检索
HIT ID: HIT218847673
Cas No: 216699-33-1
分子式: C59H52Cl2N4O28
分子量: 1335.97
常用名: Calcium Green-5N AM
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}({2-[2-(5-{[3',6'-bis(acetyloxy)-2',7'-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]amido}-2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy)ethoxy]-4-nitrophenyl})amino)acetate
IUPAC: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}({2-[2-(5-{[3',6'-bis(acetyloxy)-2',7'-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]amido}-2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy)ethoxy]-4-nitrophenyl})amino)acetate
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(Cl)cc23)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)[N+]([O-])=O
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(OC(C)=O)cc3Oc3cc(OC(C)=O)c(Cl)cc23)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)[N+]([O-])=O
InChI key: VFSZBTFSVKUOIK-UHFFFAOYSA-N
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