Chem
J-GLOBAL ID:200907003028106822
Nikkaji number:J1.637.911E
(3R,4S)-3-Phenyl-4-(4-methoxyphenoxy)-5-hexene-1-yne-3-ol
(3R,4S)-3-フェニル-4-(4-メトキシフェノキシ)-5-ヘキセン-1-イン-3-オール
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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:
C19 H18 O3
Molecular formula furigana:
C19-H18-O3
Molecular weight:
294.350
InChI:
InChI=1S/C19H18O3/c1-4-18(22-17-13-11-16(21-3)12-14-17)19(20,5-2)15-9-7-6-8-10-15/h2,4,6-14,18,20H,1H2,3H3/t18-,19+/m0/s1
InChI key:
SQOBSHDQVUCETA-RBUKOAKNSA-N
SMILES:
COc1ccc(O[C@@H](C=C)[C@@](O)(C#C)c2ccccc2)cc1
Systematic name (3):
(3R,4S)-3-フェニル-4-(4-メトキシフェノキシ)-5-ヘキセン-1-イン-3-オール
(3R,4S)-4-(4-メトキシフェノキシ)-3-フェニルヘキサ-5-エン-1-イン-3-オール
(3R,4S)-4-(4-methoxyphenoxy)-3-phenylhex-5-en-1-yn-3-ol
Other name (1):
(3R,4S)-3-Phenyl-4-(4-methoxyphenoxy)-5-hexene-1-yne-3-ol
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