Chem
J-GLOBAL ID：201507011723162505
Nikkaji number：J3.402.125B
2,2′-(1,4-Phenylene)bis[3-[4-[2-(4-carboxybutane-2-ylideneaminooxy)ethoxy]phenyl]acrylonitrile]
2,2′-(1,4-フェニレン)ビス[3-[4-[2-(4-カルボキシブタン-2-イリデンアミノオキシ)エトキシ]フェニル]アクリロニトリル]
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： C38H38N4O8
Molecular formula furigana： C38-H38-N4-O8
Molecular weight： 678.742
InChI：
InChI=1S/C38H38N4O8/c1-27(3-17-37(43)44)41-49-21-19-47-35-13-5-29(6-14-35)23-33(25-39)31-9-11-32(12-10-31)34(26-40)24-30-7-15-36(16-8-30)48-20-22-50-42-28(2)4-18-38(45)46/h5-16,23-24H,3-4,17-22H2,1-2H3,(H,43,44)(H,45,46)
InChI key：
QJUSCJKFYQPARL-UHFFFAOYSA-N
SMILES：
CC(=NOCCOc1ccc(C=C(C#N)c2ccc(cc2)C(=Cc2ccc(OCCON=C(C)CCC(=O)O)cc2)C#N)cc1)CCC(=O)O
Systematic name (3)：
- 2,2′-(1,4-フェニレン)ビス[3-[4-[2-(4-カルボキシブタン-2-イリデンアミノオキシ)エトキシ]フェニル]アクリロニトリル]
- 4-[(2-{4-[2-(4-{2-[4-(2-{[(4-カルボキシブタン-2-イリデン)アミノ]オキシ}エトキシ)フェニル]-1-シアノエタ-1-エン-1-イル}フェニル)-2-シアノエタ-1-エン-1-イル]フェノキシ}エトキシ)イミノ]ペンタン酸
- 4-[(2-{4-[2-(4-{2-[4-(2-{[(4-carboxybutan-2-ylidene)amino]oxy}ethoxy)phenyl]-1-cyanoeth-1-en-1-yl}phenyl)-2-cyanoeth-1-en-1-yl]phenoxy}ethoxy)imino]pentanoic acid
- 2,2′-(1,4-Phenylene)bis[3-[4-[2-(4-carboxybutane-2-ylideneaminooxy)ethoxy]phenyl]acrylonitrile]
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