木素磺酸镁
lignosulfonic acid, magnesium salt · CAS 8061-54-9
- 中文名
- 木素磺酸镁
- 中文别名
- 暂无
- 英文名
- lignosulfonic acid, magnesium salt
- CAS
- 8061-54-9
- CID
- 168266367
- IUPAC 名称
- 4-O-[2-(cyclohexylmethoxycarbonylamino)-3-methylbutyl] 1-O-ethyl but-2-enedioate;4-O-[2-(cyclohexyloxycarbonylamino)-3-methylbutyl] 1-O-ethyl but-2-enedioate;4-O-[2-(ethoxycarbonylamino)-3-methylbutyl] 1-O-ethyl but-2-enedioate;1-O-[2-(ethoxycarbonylamino)-3-methylbutyl] 4-O-propan-2-yl but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-(phenoxycarbonylamino)butyl] but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-(phenylmethoxycarbonylamino)butyl] but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-(propan-2-yloxycarbonylamino)butyl] but-2-enedioate;1-O-[2-(methoxycarbonylamino)-3-methylbutyl] 4-O-propan-2-yl but-2-enedioate
名称与编号
- 中文名
- 木素磺酸镁
- 中文别名
- 暂无
- 英文名
- lignosulfonic acid, magnesium salt
- CAS
- 8061-54-9
- CID
- 168266367
- IUPAC 名称
- 4-O-[2-(cyclohexylmethoxycarbonylamino)-3-methylbutyl] 1-O-ethyl but-2-enedioate;4-O-[2-(cyclohexyloxycarbonylamino)-3-methylbutyl] 1-O-ethyl but-2-enedioate;4-O-[2-(ethoxycarbonylamino)-3-methylbutyl] 1-O-ethyl but-2-enedioate;1-O-[2-(ethoxycarbonylamino)-3-methylbutyl] 4-O-propan-2-yl but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-(phenoxycarbonylamino)butyl] but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-(phenylmethoxycarbonylamino)butyl] but-2-enedioate;1-O-ethyl 4-O-[3-methyl-2-(propan-2-yloxycarbonylamino)butyl] but-2-enedioate;1-O-[2-(methoxycarbonylamino)-3-methylbutyl] 4-O-propan-2-yl but-2-enedioate
分子属性
- 分子式
- C148H231N9O54
- 分子量
- 3000.4 g/mol
- 精确质量
- 2999.5639927 Da
- 单同位素质量
- 2998.5606378 Da
- XLogP
- 暂无
- 极性表面积
- 818 Ų
- 氢键供体
- 9
- 氢键受体
- 54
- 可旋转键
- 100
- 重原子数
- 211
- 净电荷
- 0
- 结构复杂度
- 3910
结构标识
- InChIKey
- QHBCZTXTTUXELS-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C=CC(=O)OCC(C(C)C)NC(=O)OCC.CCOC(=O)C=CC(=O)OCC(C(C)C)NC(=O)OCC1CCCCC1.CCOC(=O)C=CC(=O)OCC(C(C)C)NC(=O)OCC1=CC=CC=C1.CCOC(=O)C=CC(=O)OCC(C(C)C)NC(=O)OC1CCCCC1.CCOC(=O)C=CC(=O)OCC(C(C)C)NC(=O)OC1=CC=CC=C1.CCOC(=O)C=CC(=O)OCC(C(C)C)NC(=O)OC(C)C.CCOC(=O)C=CC(=O)OCC(C(C)C)NC(=O)OC(C)(C)C.CCOC(=O)NC(COC(=O)C=CC(=O)OC(C)C)C(C)C.CC(C)C(COC(=O)C=CC(=O)OC(C)C)NC(=O)OC
- InChI
- InChI=1S/C19H31NO6.C19H25NO6.C18H29NO6.C18H23NO6.C16H27NO6.2C15H25NO6.2C14H23NO6/c2*1-4-24-17(21)10-11-18(22)25-13-16(14(2)3)20-19(23)26-12-15-8-6-5-7-9-15;2*1-4-23-16(20)10-11-17(21)24-12-15(13(2)3)19-18(22)25-14-8-6-5-7-9-14;1-7-21-13(18)8-9-14(19)22-10-12(11(2)3)17-15(20)23-16(4,5)6;1-6-20-15(19)16-12(10(2)3)9-21-13(17)7-8-14(18)22-11(4)5;1-6-20-13(17)7-8-14(18)21-9-12(10(2)3)16-15(19)22-11(4)5;1-9(2)11(15-14(18)19-5)8-20-12(16)6-7-13(17)21-10(3)4;1-5-19-12(16)7-8-13(17)21-9-11(10(3)4)15-14(18)20-6-2/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,20,23);5-11,14,16H,4,12-13H2,1-3H3,(H,20,23);10-11,13-15H,4-9,12H2,1-3H3,(H,19,22);5-11,13,15H,4,12H2,1-3H3,(H,19,22);8-9,11-12H,7,10H2,1-6H3,(H,17,20);2*7-8,10-12H,6,9H2,1-5H3,(H,16,19);6-7,9-11H,8H2,1-5H3,(H,15,18);7-8,10-11H,5-6,9H2,1-4H3,(H,15,18)