Chem
J-GLOBAL ID：201907002687559541
Nikkaji number：J3.743.287C
(Z)-3-[3,4,5-トリス(オクチルオキシ)フェニルエチニル]-4-ヒドロキシ-3-ペンテン-2-オン
(Z)-3-[3,4,5-トリス(オクチルオキシ)フェニルエチニル]-4-ヒドロキシ-3-ペンテン-2-オン
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： C37H60O5
Molecular formula furigana： C37-H60-O5
Molecular weight： 584.882
InChI：
InChI=1S/C37H60O5/c1-6-9-12-15-18-21-26-40-35-29-33(24-25-34(31(4)38)32(5)39)30-36(41-27-22-19-16-13-10-7-2)37(35)42-28-23-20-17-14-11-8-3/h29-30,38H,6-23,26-28H2,1-5H3/b34-31-
InChI key：
ZYLVWGNLUVSUPO-NMSHJFGGSA-N
SMILES：
CC(=O)/C(=C(/C)\O)/C#Cc1cc(c(c(c1)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC
Systematic name (3)：
- (Z)-3-[3,4,5-トリス(オクチルオキシ)フェニルエチニル]-4-ヒドロキシ-3-ペンテン-2-オン
- (3Z)-4-ヒドロキシ-3-{2-[3,4,5-トリス(オクチルオキシ)フェニル]エチニル}ペンタ-3-エン-2-オン
- (3Z)-4-hydroxy-3-{2-[3,4,5-tris(octyloxy)phenyl]ethynyl}pent-3-en-2-one
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