Chem
J-GLOBAL ID:200907054403494855
Nikkaji number:J2.145.550D
4-[[(3S)-3,7-Dimethyl-6-octenyl]oxy]benzoic acid 4-(octyloxy)phenyl ester
4-[[(3S)-3,7-ジメチル-6-オクテニル]オキシ]安息香酸4-(オクチルオキシ)フェニル
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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:
C31 H44 O4
Molecular formula furigana:
C31-H44-O4
Molecular weight:
480.689
InChI:
InChI=1S/C31H44O4/c1-5-6-7-8-9-10-23-33-29-18-20-30(21-19-29)35-31(32)27-14-16-28(17-15-27)34-24-22-26(4)13-11-12-25(2)3/h12,14-21,26H,5-11,13,22-24H2,1-4H3/t26-/m0/s1
InChI key:
OMDXNKXAVINQBY-SANMLTNESA-N
SMILES:
CCCCCCCCOc1ccc(OC(=O)c2ccc(OCC[C@@H](C)CCC=C(C)C)cc2)cc1
Systematic name (3):
4-[[(3S)-3,7-ジメチル-6-オクテニル]オキシ]安息香酸4-(オクチルオキシ)フェニル
4-(オクチルオキシ)フェニル 4-{[(3S)-3,7-ジメチルオクタ-6-エン-1-イル]オキシ}ベンゾアート
4-(octyloxy)phenyl 4-{[(3S)-3,7-dimethyloct-6-en-1-yl]oxy}benzoate
Other name (1):
4-[[(3S)-3,7-Dimethyl-6-octenyl]oxy]benzoic acid 4-(octyloxy)phenyl ester
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