Chem
J-GLOBAL ID:200907055404378847
Nikkaji number:J1.031.807F
Bis[3-oxo-3-[3,5-bis(octyloxy)benzyloxy]propionic acid][5-(2-oxo-2-tert-butoxyethoxy)-1,3-phenylenebismethylene] ester
ビス[3-オキソ-3-[3,5-ビス(オクチルオキシ)ベンジルオキシ]プロピオン酸][5-(2-オキソ-2-tert-ブトキシエトキシ)-1,3-フェニレンビスメチレン]
Download MOL file
Substance type:
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
Molecular formula:
C66 H100 O15
Molecular formula furigana:
C66-H100-O15
Molecular weight:
1133.511
InChI:
InChI=1S/C66H100O15/c1-8-12-16-20-24-28-32-72-57-39-54(40-58(43-57)73-33-29-25-21-17-13-9-2)49-79-63(69)45-61(67)77-47-52-36-53(38-56(37-52)76-51-65(71)81-66(5,6)7)48-78-62(68)46-64(70)80-50-55-41-59(74-34-30-26-22-18-14-10-3)44-60(42-55)75-35-31-27-23-19-15-11-4/h36-44H,8-35,45-51H2,1-7H3
InChI key:
OVJCEUZHYLEMIT-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(COC(=O)CC(=O)OCc2cc(COC(=O)CC(=O)OCc3cc(OCCCCCCCC)cc(OCCCCCCCC)c3)cc(OCC(=O)OC(C)(C)C)c2)cc(OCCCCCCCC)c1
Systematic name (3):
ビス[3-オキソ-3-[3,5-ビス(オクチルオキシ)ベンジルオキシ]プロピオン酸][5-(2-オキソ-2-tert-ブトキシエトキシ)-1,3-フェニレンビスメチレン]
1-(3-{[(3-{[3,5-ビス(オクチルオキシ)フェニル]メトキシ}-3-オキソプロパノイル)オキシ]メチル}-5-[2-(tert-ブトキシ)-2-オキソエトキシ]フェニル)メチル 3-[3,5-ビス(オクチルオキシ)フェニル]メチル プロパンジオアート
1-(3-{[(3-{[3,5-bis(octyloxy)phenyl]methoxy}-3-oxopropanoyl)oxy]methyl}-5-[2-(tert-butoxy)-2-oxoethoxy]phenyl)methyl 3-[3,5-bis(octyloxy)phenyl]methyl propanedioate
Other name (1):
Bis[3-oxo-3-[3,5-bis(octyloxy)benzyloxy]propionic acid][5-(2-oxo-2-tert-butoxyethoxy)-1,3-phenylenebismethylene] ester
Thsaurus map:
Return to Previous Page