3,8,9,10-四氢-9-甲基-1,3,8,10-四 氧蒽[2,1,9def,6,5,10-d'e'f']二异 喹啉-2-(1H)乙磺酸(9CI)
3,8,9,10-Tetrahydro-9-methyl-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'fa(2)]diisoquinoline-2(1H)-ethanesulfonic acid · CAS 135934-43-9
- 中文名
- 3,8,9,10-四氢-9-甲基-1,3,8,10-四 氧蒽[2,1,9def,6,5,10-d'e'f']二异 喹啉-2-(1H)乙磺酸(9CI)
- 中文别名
- 暂无
- 英文名
- 3,8,9,10-Tetrahydro-9-methyl-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'fa(2)]diisoquinoline-2(1H)-ethanesulfonic acid
- CAS
- 135934-43-9
- CID
- 14833079
- IUPAC 名称
- 2-(18-methyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)ethanesulfonic acid
名称与编号
- 中文名
- 3,8,9,10-四氢-9-甲基-1,3,8,10-四 氧蒽[2,1,9def,6,5,10-d'e'f']二异 喹啉-2-(1H)乙磺酸(9CI)
- 中文别名
- 暂无
- 英文名
- 3,8,9,10-Tetrahydro-9-methyl-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'fa(2)]diisoquinoline-2(1H)-ethanesulfonic acid
- CAS
- 135934-43-9
- CID
- 14833079
- IUPAC 名称
- 2-(18-methyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)ethanesulfonic acid
分子属性
- 分子式
- C27H16N2O7S
- 分子量
- 512.5 g/mol
- 精确质量
- 512.06782203 Da
- 单同位素质量
- 512.06782203 Da
- XLogP
- 2.6
- 极性表面积
- 138 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 3
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 1110
结构标识
- InChIKey
- QIASJYHBBFRSDC-UHFFFAOYSA-N
- SMILES
- CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCS(=O)(=O)O)C1=O
- InChI
- InChI=1S/C27H16N2O7S/c1-28-24(30)16-6-2-12-14-4-8-18-23-19(27(33)29(26(18)32)10-11-37(34,35)36)9-5-15(21(14)23)13-3-7-17(25(28)31)22(16)20(12)13/h2-9H,10-11H2,1H3,(H,34,35,36)