C.I.还原红14
C.I. Vat Red 14 · CAS 8005-56-9
- 中文名
- C.I.还原红14
- 中文别名
- 暂无
- 英文名
- C.I. Vat Red 14
- CAS
- 8005-56-9
- CID
- 90476986
- IUPAC 名称
- 3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione
名称与编号
- 中文名
- C.I.还原红14
- 中文别名
- 暂无
- 英文名
- C.I. Vat Red 14
- CAS
- 8005-56-9
- CID
- 90476986
- IUPAC 名称
- 3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione;3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,18,20,22,24,26(30),27-tridecaene-11,16-dione
分子属性
- 分子式
- C52H24N8O4
- 分子量
- 824.8 g/mol
- 精确质量
- 824.19205128 Da
- 单同位素质量
- 824.19205128 Da
- XLogP
- 暂无
- 极性表面积
- 140 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 0
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 1560
结构标识
- InChIKey
- BMZAOXGPXCPSTH-UHFFFAOYSA-N
- SMILES
- C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=C5C6=C(C=CC3=C46)C7=NC8=CC=CC=C8N7C5=O.C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=C5C6=C(C=CC3=C46)C(=O)N7C5=NC8=CC=CC=C87
- InChI
- InChI=1S/2C26H12N4O2/c31-25-15-12-10-14-22-16(26(32)30-20-8-4-2-6-18(20)28-24(14)30)11-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25;31-25-15-11-12-16-22-14(24-28-18-6-2-4-8-20(18)30(24)26(16)32)10-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h2*1-12H