HIT ID: HIT212672704
Cas No: 145037-81-6
分子式: C52H59BrN4O19
分子量: 1123.957
常用名: Rhod-2 AM
氢键受体数 (HBA): 15
氢键供体数 (HBD): 0
LogP: 6.0345
IUPAC: 9-{4-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-3-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl}-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium bromide
IUPAC: 9-{4-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-3-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl}-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium bromide
SMILES: [Br-].CN(C)c1ccc2c(-c3ccc(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c(OCCOc4cc(C)ccc4N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c3)c3ccc(cc3[o+]c2c1)N(C)C
SMILES: [Br-].CN(C)c1ccc2c(-c3ccc(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c(OCCOc4cc(C)ccc4N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c3)c3ccc(cc3[o+]c2c1)N(C)C
InChI key: RWXWZOWDWYQKBK-UHFFFAOYSA-M
