Chem
J-GLOBAL ID：200907057282729026
Nikkaji number：J1.985.046C
Phosphoric acid disodium 3-[5′-chloro-3-methoxyspiro[1,2-dioxetane-4,2′-adamantane]-3-yl]phenyl ester salt
りん酸ジナトリウム3-[5′-クロロ-3-メトキシスピロ[1,2-ジオキセタン-4,2′-アダマンタン]-3-イル]フェニル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C18H20ClNa2O7P
Molecular formula furigana： C18-H20-CL-NA2-O7-P
Molecular weight： 460.750
InChI：
InChI=1S/C18H22ClO7P.2Na/c1-23-18(12-3-2-4-15(7-12)24-27(20,21)22)17(25-26-18)13-5-11-6-14(17)10-16(19,8-11)9-13;;/h2-4,7,11,13-14H,5-6,8-10H2,1H3,(H2,20,21,22);;/q;2*+1/p-2/t11-,13-,14+,16-,17?,18?;;
InChI key：
AASGHQHJTWUGDK-XJHUOOPFSA-L
SMILES：
COC1(OOC21[C@H]1C[C@H]3C[C@@H]2C[C@](Cl)(C3)C1)c1cccc(OP(=O)(O[Na])O[Na])c1
Systematic name (4)：
- りん酸ジナトリウム3-[5′-クロロ-3-メトキシスピロ[1,2-ジオキセタン-4,2′-アダマンタン]-3-イル]フェニル
- りん酸ジナトリウム[3-[4-メトキシ-5′-クロロスピロ[1,2-ジオキセタン-3,2′-トリシクロ[3.3.1.13,7]デカン]-4-イル]フェニル]
- 3-[(1R,3S,5s,7s)-7-クロロ-3'-メトキシスピロ[アダマンタン-2,2'-[1,4]ジオキセタン]-3'-イル]フェニル 二ナトリウム ホスファート
- 3-[(1R,3S,5s,7s)-7-chloro-3'-methoxyspiro[adamantane-2,2'-[1,4]dioxetan]-3'-yl]phenyl disodium phosphate
- Phosphoric acid disodium 3-[5′-chloro-3-methoxyspiro[1,2-dioxetane-4,2′-adamantane]-3-yl]phenyl ester salt
- Phosphoric acid disodium[3-[4-methoxy-5′-chlorospiro[1,2-dioxetane-3,2′-tricyclo[3.3.1.13,7]decane]-4-yl]phenyl] ester salt
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