HIT ID: HIT218886912
Cas No:
分子式: C39H36K3N5O13
分子量: 900.034
常用名: Rhod-5N (potassium salt)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tripotassium 9-{4-[bis(carboxylatomethyl)amino]-3-(2-{2-[bis(carboxylatomethyl)amino]-5-nitrophenoxy}ethoxy)phenyl}-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium
IUPAC: tripotassium 9-{4-[bis(carboxylatomethyl)amino]-3-(2-{2-[bis(carboxylatomethyl)amino]-5-nitrophenoxy}ethoxy)phenyl}-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium
SMILES: [K+].[K+].[K+].CN(C)c1ccc2c(-c3ccc(N(CC([O-])=O)CC([O-])=O)c(OCCOc4cc(ccc4N(CC([O-])=O)CC([O-])=O)[N+]([O-])=O)c3)c3ccc(cc3[o+]c2c1)N(C)C
SMILES: [K+].[K+].[K+].CN(C)c1ccc2c(-c3ccc(N(CC([O-])=O)CC([O-])=O)c(OCCOc4cc(ccc4N(CC([O-])=O)CC([O-])=O)[N+]([O-])=O)c3)c3ccc(cc3[o+]c2c1)N(C)C
InChI key: JLZGTFWLMRDWKD-UHFFFAOYSA-K
