Chem
J-GLOBAL ID:201107013595459144
Nikkaji number:J2.932.229E
2,2′-[Tricyclo[8.2.2.24,7 ]hexadecane-1(13),4,6,10(14),11,15-hexaene-6,11-diyl]bis[4,5-bis[4-[3-(3-dodecylureido)propoxy]phenyl]-1H-imidazole-1-yl]radical
2,2′-[トリシクロ[8.2.2.24,7 ]ヘキサデカン-1(13),4,6,10(14),11,15-ヘキサエン-6,11-ジイル]ビス[4,5-ビス[4-[3-(3-ドデシルウレイド)プロポキシ]フェニル]-1H-イミダゾール-1-イル]ラジカル
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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:
C110 H162 N12 O8
Molecular formula furigana:
C110-H162-N12-O8
Molecular weight:
1780.582
InChI:
InChI=1S/C110H162N12O8/c1-5-9-13-17-21-25-29-33-37-41-73-111-107(123)115-77-45-81-127-95-65-57-91(58-66-95)101-102(92-59-67-96(68-60-92)128-82-46-78-116-108(124)112-74-42-38-34-30-26-22-18-14-10-6-2)120-105(119-101)99-85-87-49-50-88-52-54-90(56-55-89(99)53-51-87)100(86-88)106-121-103(93-61-69-97(70-62-93)129-83-47-79-117-109(125)113-75-43-39-35-31-27-23-19-15-11-7-3)104(122-106)94-63-71-98(72-64-94)130-84-48-80-118-110(126)114-76-44-40-36-32-28-24-20-16-12-8-4/h51-54,57-72,85-86H,5-50,55-56,73-84H2,1-4H3,(H2,111,115,123)(H2,112,116,124)(H2,113,117,125)(H2,114,118,126)
InChI key:
XXPKIXBDODJMEQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)NCCCOc1ccc(cc1)c1[n]c(nc1c1ccc(OCCCNC(=O)NCCCCCCCCCCCC)cc1)c1cc2CCc3ccc(CCc1cc2)c(c3)c1[n]c(c(n1)c1ccc(OCCCNC(=O)NCCCCCCCCCCCC)cc1)c1ccc(OCCCNC(=O)NCCCCCCCCCCCC)cc1
Systematic name (1):
2,2′-[トリシクロ[8.2.2.24,7 ]ヘキサデカン-1(13),4,6,10(14),11,15-ヘキサエン-6,11-ジイル]ビス[4,5-ビス[4-[3-(3-ドデシルウレイド)プロポキシ]フェニル]-1H-イミダゾール-1-イル]ラジカル
Other name (1):
2,2′-[Tricyclo[8.2.2.24,7 ]hexadecane-1(13),4,6,10(14),11,15-hexaene-6,11-diyl]bis[4,5-bis[4-[3-(3-dodecylureido)propoxy]phenyl]-1H-imidazole-1-yl]radical
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