Chem
J-GLOBAL ID:200907024698780190   Nikkaji number:J261.590H

2-[3-[[5,6-Dichloro-1-ethyl-1,3-dihydro-3-(4-sulfonatobutyl)-2H-benzimidazol]-2-ylidene]-1-propenyl]-3-ethyl-5-phenylbenzoxazol-3-ium

2-[3-[[5,6-ジクロロ-1-エチル-1,3-ジヒドロ-3-(4-スルホナトブチル)-2H-ベンゾイミダゾール]-2-イリデン]-1-プロペニル]-3-エチル-5-フェニルベンゾオキサゾール-3-イウム
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: C31H31Cl2N2[N+]O3[O-]S
Molecular formula furigana: C31-H31-CL2-N3-O4-S
Molecular weight: 612.570
InChI: InChI=1S/C31H31Cl2N3O4S/c1-3-34-26-20-24(32)25(33)21-27(26)36(17-8-9-18-41(37,38)39)30(34)13-10-14-31-35(4-2)28-19-23(15-16-29(28)40-31)22-11-6-5-7-12-22/h5-7,10-16,19-21H,3-4,8-9,17-18H2,1-2H3
InChI key: YZUGTCCVECNRBN-UHFFFAOYSA-N
SMILES: CCn1c(=CC=Cc2oc3ccc(cc3[n+]2CC)c2ccccc2)n(CCCCS(=O)(=O)[O-])c2cc(Cl)c(Cl)cc12
Systematic name  (3):
  • 2-[3-[[5,6-ジクロロ-1-エチル-1,3-ジヒドロ-3-(4-スルホナトブチル)-2H-ベンゾイミダゾール]-2-イリデン]-1-プロペニル]-3-エチル-5-フェニルベンゾオキサゾール-3-イウム
  • 2-{3-[5,6-ジクロロ-1-エチル-3-(4-スルホナトブチル)-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール-2-イリデン]プロパ-1-エン-1-イル}-3-エチル-5-フェニル-1,3-ベンゾオキサゾール-3-イウム
  • 2-{3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]prop-1-en-1-yl}-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium
Other name (1):
  • 2-[3-[[5,6-Dichloro-1-ethyl-1,3-dihydro-3-(4-sulfonatobutyl)-2H-benzimidazol]-2-ylidene]-1-propenyl]-3-ethyl-5-phenylbenzoxazol-3-ium
CAS registry number: 50671-46-0
Regulation number (1):
  • EINECS2567066
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