(2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;perchlorate
(2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;perchlorate · CAS 207399-10-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;perchlorate
- CAS
- 207399-10-8
- CID
- 9896560
- IUPAC 名称
- (2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole perchlorate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;perchlorate
- CAS
- 207399-10-8
- CID
- 9896560
- IUPAC 名称
- (2Z)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole perchlorate
分子属性
- 分子式
- C42H49ClN2O4S
- 分子量
- 713.4 g/mol
- 精确质量
- 712.3101569 Da
- 单同位素质量
- 712.3101569 Da
- XLogP
- 暂无
- 极性表面积
- 106 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 9
- 重原子数
- 50
- 净电荷
- 0
- 结构复杂度
- 1220
结构标识
- InChIKey
- IJYUKSSLCNLVNM-UHFFFAOYSA-M
- SMILES
- CCCN\1C2=CC=CC=C2C(/C1=C/C=C/3\CCCC(=C3SC4=CC=CC=C4)/C=C/C5=[N+](C6=CC=CC=C6C5(C)C)CCC)(C)C.[O-]Cl(=O)(=O)=O
- InChI
- InChI=1S/C42H49N2S.ClHO4/c1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;2-1(3,4)5/h9-15,19-28H,7-8,16-18,29-30H2,1-6H3;(H,2,3,4,5)/q+1;/p-1