Chem
J-GLOBAL ID：200907003191708813
Nikkaji number：J2.525.731F
2,5,8,11,14,17-Hexakis[9-(2-methoxyethoxy)nonyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene
2,5,8,11,14,17-ヘキサキス[9-(2-メトキシエトキシ)ノニル]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
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： C114H162O12
Molecular formula furigana： C114-H162-O12
Molecular weight： 1724.538
InChI：
InChI=1S/C114H162O12/c1-115-61-67-121-55-43-31-19-7-13-25-37-49-85-73-91-93-75-86(50-38-26-14-8-20-32-44-56-122-68-62-116-2)77-95-97-79-88(52-40-28-16-10-22-34-46-58-124-70-64-118-4)81-99-101-83-90(54-42-30-18-12-24-36-48-60-126-72-66-120-6)84-102-100-82-89(53-41-29-17-11-23-35-47-59-125-71-65-119-5)80-98-96-78-87(51-39-27-15-9-21-33-45-57-123-69-63-117-3)76-94-92(74-85)103(91)109-110(104(93)95)112(106(97)99)114(108(101)102)113(107(98)100)111(109)105(94)96/h73-84H,7-72H2,1-6H3
InChI key：
CDZPXFVYMXPMKW-UHFFFAOYSA-N
SMILES：
COCCOCCCCCCCCCc1cc2c3cc(CCCCCCCCCOCCOC)cc4c5cc(CCCCCCCCCOCCOC)cc6c7cc(CCCCCCCCCOCCOC)cc8c9cc(CCCCCCCCCOCCOC)cc%10c%11cc(CCCCCCCCCOCCOC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name (3)：
- 2,5,8,11,14,17-ヘキサキス[9-(2-メトキシエトキシ)ノニル]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
- 6,11,20,25,34,39-ヘキサキス[9-(2-メトキシエトキシ)ノニル]トリデカシクロ[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]ドテトラコンタ-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘンイコサエン
- 6,11,20,25,34,39-hexakis[9-(2-methoxyethoxy)nonyl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
- 2,5,8,11,14,17-Hexakis[9-(2-methoxyethoxy)nonyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene
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