Chem
J-GLOBAL ID:201007048344922679
Nikkaji number:J2.840.453K
1,3-Bis[5,6-bis(hexadecyloxycarbonyl)-2H-isoindole-1-yl]-3-(difluoroboryloxy)-2-propene-1-one
1,3-ビス[5,6-ビス(ヘキサデシルオキシカルボニル)-2H-イソインドール-1-イル]-3-(ジフルオロボリルオキシ)-2-プロペン-1-オン
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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:
C87 H141 BF2 N2 O10
Molecular formula furigana:
C87-H141-B-F2-N2-O10
Molecular weight:
1423.900
InChI:
InChI=1S/C87H141BF2N2O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-98-84(94)76-65-72-70-91-82(74(72)67-78(76)86(96)100-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80(93)69-81(102-88(89)90)83-75-68-79(87(97)101-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)77(66-73(75)71-92-83)85(95)99-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h65-71,91-92H,5-64H2,1-4H3
InChI key:
VBDGBRCDRNHLQK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)c1cc2c[nH]c(C(=O)C=C(OB(F)F)c3[nH]cc4cc(C(=O)OCCCCCCCCCCCCCCCC)c(cc34)C(=O)OCCCCCCCCCCCCCCCC)c2cc1C(=O)OCCCCCCCCCCCCCCCC
Systematic name (4):
1,3-ビス[5,6-ビス(ヘキサデシルオキシカルボニル)-2H-イソインドール-1-イル]-3-(ジフルオロボリルオキシ)-2-プロペン-1-オン
1,1′-[1-オキソ-3-[(ジフルオロボリル)オキシ]-2-プロペン-1,3-ジイル]ビス(2H-イソインドール-5,6-ジカルボン酸ジヘキサデシル)
5,6-ジヘキサデシル 1-(3-{5,6-ビス[(ヘキサデシルオキシ)カルボニル]-2H-イソインドール-1-イル}-3-[(ジフルオロボラニル)オキシ]プロパ-2-エノイル)-2H-イソインドール-5,6-ジカルボキシラート
5,6-dihexadecyl 1-(3-{5,6-bis[(hexadecyloxy)carbonyl]-2H-isoindol-1-yl}-3-[(difluoroboranyl)oxy]prop-2-enoyl)-2H-isoindole-5,6-dicarboxylate
Other name (2):
1,3-Bis[5,6-bis(hexadecyloxycarbonyl)-2H-isoindole-1-yl]-3-(difluoroboryloxy)-2-propene-1-one
1,1′-[1-Oxo-3-[(difluoroboryl)oxy]-2-propene-1,3-diyl]bis(2H-isoindole-5,6-dicarboxylic acid dihexadecyl) ester
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