Chem
J-GLOBAL ID:200907087594592385
Nikkaji number:J2.589.161I
(3R,4R)-N,N′-Bis(4-chlorobenzyl)-N,N′-dihydroxy-1,6-diphenyl-1,5-hexadiyne-3,4-diamine
(3R,4R)-N,N′-ビス(4-クロロベンジル)-N,N′-ジヒドロキシ-1,6-ジフェニル-1,5-ヘキサジイン-3,4-ジアミン
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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:
C32 H26 Cl2 N2 O2
Molecular formula furigana:
C32-H26-CL2-N2-O2
Molecular weight:
541.470
InChI:
InChI=1S/C32H26Cl2N2O2/c33-29-17-11-27(12-18-29)23-35(37)31(21-15-25-7-3-1-4-8-25)32(22-16-26-9-5-2-6-10-26)36(38)24-28-13-19-30(34)20-14-28/h1-14,17-20,31-32,37-38H,23-24H2/t31-,32-/m1/s1
InChI key:
YWUDSTZCHCXCKO-ROJLCIKYSA-N
SMILES:
ON(Cc1ccc(Cl)cc1)[C@H](C#Cc1ccccc1)[C@@H](C#Cc1ccccc1)N(O)Cc1ccc(Cl)cc1
Systematic name (3):
(3R,4R)-N,N′-ビス(4-クロロベンジル)-N,N′-ジヒドロキシ-1,6-ジフェニル-1,5-ヘキサジイン-3,4-ジアミン
N-[(4-クロロフェニル)メチル]-N-[(3R,4R)-4-{[(4-クロロフェニル)メチル](ヒドロキシ)アミノ}-1,6-ジフェニルヘキサ-1,5-ジイン-3-イル]ヒドロキシルアミン
N-[(4-chlorophenyl)methyl]-N-[(3R,4R)-4-{[(4-chlorophenyl)methyl](hydroxy)amino}-1,6-diphenylhexa-1,5-diyn-3-yl]hydroxylamine
Other name (1):
(3R,4R)-N,N′-Bis(4-chlorobenzyl)-N,N′-dihydroxy-1,6-diphenyl-1,5-hexadiyne-3,4-diamine
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