5(6)-ROX
HIT212666810
sdf文件结构编辑类似物检索
HIT ID: HIT212666810
Cas No: 198978-94-8
分子式: C66H60N4O10
分子量: 1069.224
常用名: 5(6)-ROX
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 1.1939323
IUPAC: 16-(4-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium; 16-(5-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium
IUPAC: 16-(4-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium; 16-(5-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium
SMILES: OC(=O)c1ccc(C2=c3cc4CCC[N+]5=c4c(CCC5)c3Oc3c4CCCN5CCCc(cc23)c45)c(c1)C([O-])=O.OC(=O)c1ccc(C([O-])=O)c(c1)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34 |c:7,14,60,67|
SMILES: OC(=O)c1ccc(C2=c3cc4CCC[N+]5=c4c(CCC5)c3Oc3c4CCCN5CCCc(cc23)c45)c(c1)C([O-])=O.OC(=O)c1ccc(C([O-])=O)c(c1)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34 |c:7,14,60,67|
InChI key: XCBOZLYEMDRQTI-UHFFFAOYSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
35115日内发货 购物车
TargetMol | Target Loading
正在加载 ~