4-[[6'-(二乙基氨)-3'-羟基-3-氧螺 [异苯并呋喃-1(3H),9'-[9H]氧杂 蒽]-2'-基]偶氮]-3-羟基-1-萘磺酸钠
4-((6'-(Diethylamino)-3'-hydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-2'-yl)azo)-3-hydroxynaphthalene-1-sulphonic acid, sodium salt · CAS 94231-75-1
- 中文名
- 4-[[6'-(二乙基氨)-3'-羟基-3-氧螺 [异苯并呋喃-1(3H),9'-[9H]氧杂 蒽]-2'-基]偶氮]-3-羟基-1-萘磺酸钠
- 中文别名
- 暂无
- 英文名
- 4-((6'-(Diethylamino)-3'-hydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-2'-yl)azo)-3-hydroxynaphthalene-1-sulphonic acid, sodium salt
- CAS
- 94231-75-1
- CID
- 165415577
- IUPAC 名称
- sodium 4-[[6'-(diethylamino)-3'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]diazenyl]-3-hydroxynaphthalene-1-sulfonic acid
名称与编号
- 中文名
- 4-[[6'-(二乙基氨)-3'-羟基-3-氧螺 [异苯并呋喃-1(3H),9'-[9H]氧杂 蒽]-2'-基]偶氮]-3-羟基-1-萘磺酸钠
- 中文别名
- 暂无
- 英文名
- 4-((6'-(Diethylamino)-3'-hydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-2'-yl)azo)-3-hydroxynaphthalene-1-sulphonic acid, sodium salt
- CAS
- 94231-75-1
- CID
- 165415577
- IUPAC 名称
- sodium 4-[[6'-(diethylamino)-3'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]diazenyl]-3-hydroxynaphthalene-1-sulfonic acid
分子属性
- 分子式
- C34H27N3NaO8S+
- 分子量
- 660.6 g/mol
- 精确质量
- 660.14165528 Da
- 单同位素质量
- 660.14165528 Da
- XLogP
- 暂无
- 极性表面积
- 167 Ų
- 氢键供体
- 3
- 氢键受体
- 11
- 可旋转键
- 6
- 重原子数
- 47
- 净电荷
- 1
- 结构复杂度
- 1260
结构标识
- InChIKey
- SGPUSRFUFNGXCE-UHFFFAOYSA-N
- SMILES
- CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)O)N=NC6=C(C=C(C7=CC=CC=C76)S(=O)(=O)O)O.[Na+]
- InChI
- InChI=1S/C34H27N3O8S.Na/c1-3-37(4-2)19-13-14-24-29(15-19)44-30-17-27(38)26(16-25(30)34(24)23-12-8-7-11-22(23)33(40)45-34)35-36-32-21-10-6-5-9-20(21)31(18-28(32)39)46(41,42)43;/h5-18,38-39H,3-4H2,1-2H3,(H,41,42,43);/q;+1