Chem
J-GLOBAL ID:200907049848845131
Nikkaji number:J1.583.803E
(2S,3S)-2-(1,3-Benzodioxole-5-ylmethyl)-3-benzylsuccinic acid
(2S,3S)-2-(1,3-ベンゾジオキソール-5-イルメチル)-3-ベンジルこはく酸
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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 O6
Molecular formula furigana:
C19-H18-O6
Molecular weight:
342.347
InChI:
InChI=1S/C19H18O6/c20-18(21)14(8-12-4-2-1-3-5-12)15(19(22)23)9-13-6-7-16-17(10-13)25-11-24-16/h1-7,10,14-15H,8-9,11H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1
InChI key:
ASEJDWRSZYAIOT-GJZGRUSLSA-N
SMILES:
OC(=O)[C@@H](Cc1ccccc1)[C@H](Cc1ccc2OCOc2c1)C(=O)O
Systematic name (4):
(2S,3S)-2-(1,3-ベンゾジオキソール-5-イルメチル)-3-ベンジルこはく酸
(2S,3S)-2-(1,3-ベンゾジオキソール-5-イルメチル)-3-ベンジルブタン二酸
(2S,3S)-2-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-ベンジルブタン二酸
(2S,3S)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzylbutanedioic acid
Other name (2):
(2S,3S)-2-(1,3-Benzodioxole-5-ylmethyl)-3-benzylsuccinic acid
(2S,3S)-2-(1,3-Benzodioxole-5-ylmethyl)-3-benzylbutanedioic acid
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