35777-93-6 ((Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-)

结构式：

Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-MOL文件

CAS号：

35777-93-6

英文名称：

Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-

分子式：

C₂₈H₂₉NO₉S

分子量：

555.596167325974

Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-(35777-93-6)名称与标识符

名称

英文别名：

Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-;3H-2,1-Benzoxathiole, glycine deriv.;Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-,S,S-dioxide;Semimethylxylenol blue;Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5- [3-(4-hydroxy-2,5-dimethylphenyl)-1,1- dioxido-3H-2,1-benzoxathiol-3-yl]-3,6- dimethylphenyl]methyl]-;

标识符

InChIKey：

OHTDWBBDUHXFEY-UHFFFAOYSA-L

Inchi：

1S/C28H31NO9S/c1-15-11-23(30)16(2)9-21(15)28(20-7-5-6-8-24(20)39(36,37)38-28)22-10-17(3)27(35)19(18(22)4)12-29(13-25(31)32)14-26(33)34/h5-11,30,35-37H,12-14H2,1-4H3,(H,31,32)(H,33,34)/p-2

SMILES：

C(O)(=O)CN(CC(O)=O)CC1=C(C)C(C2(C3=CC(C)=C(O)C=C3C)C3=CC=CC=C3S([O-])([O-])O2)=CC(C)=C1O

Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-(35777-93-6)物化性质

实验特性

PSA : 161.67

计算特性

精确分子量 : 555.15637

4079-10-1(甘氨酸邻甲酚红) 313223-06-2(二甲酚橙四钠盐) 19329-67-0(半二甲酚桔黄) 1945-77-3(甲基百里香酚蓝钠盐) 80373-22-4(Quinpirole) 80403-94-7(Ethanone, 1-(3-chloro-5-isoxazolyl)- (9CI)) 80405-17-0(（2S）-2-（{[（1R，7aR）-1-（乙酰氧基）-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-2-羟基-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 80405-18-1(（1S，2S）-2-羟基-2-（{[（1R，7aR）-1-羟基-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯)

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35777-93-6 ((Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-)

Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-(35777-93-6)名称与标识符

名称

标识符

Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3,6-dimethylphenyl]methyl]-(35777-93-6)物化性质

实验特性

计算特性

目录