HIT ID: HIT212672139
Cas No: 121714-22-5
分子式: C51H50Cl2N2O23
分子量: 1129.85
常用名: Fluo-3AM
氢键受体数 (HBA): 16
氢键供体数 (HBD): 0
LogP: 4.7831564
IUPAC: (acetyloxy)methyl 2-[(4-{6-[(acetyloxy)methoxy]-2,7-dichloro-3-oxo-3H-xanthen-9-yl}-2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl)({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]acetate
IUPAC: (acetyloxy)methyl 2-[(4-{6-[(acetyloxy)methoxy]-2,7-dichloro-3-oxo-3H-xanthen-9-yl}-2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl)({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]acetate
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)-c1c2cc(Cl)c(OCOC(C)=O)cc2oc2cc(=O)c(Cl)cc12
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)-c1c2cc(Cl)c(OCOC(C)=O)cc2oc2cc(=O)c(Cl)cc12
InChI key: PTPUOMXKXCCSEN-UHFFFAOYSA-N
