기본 정보
- CAS
94314-07-5- 표준 SMILES
Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)c([O-])c1N=Nc1cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc1[O-].[Cu+2].[K+].[K+]- InChIKey
JCCHAWINSXEJCF-UHFFFAOYSA-J- 분자식
- C18H14CuK2N4O11S3
- 평균 분자량
- 700.3 g/mol
- 단동위원소 질량
- 698.839131
이름 및 식별자
- 우선 이름
- Cuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2)
- IUPAC
- copper;dipotassium;4-[3-methyl-5-oxido-4-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]pyrazol-1-yl]benzenesulfonate
이름 및 동의어
DTXSID101341309Cuprate(2-), (4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(4-))-, potassium (1:2)Cuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2)Cuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2)RefChem:579662DTXCID50177027194314-07-5EINECS 305-007-5JCCHAWINSXEJCF-UHFFFAOYSA-JCuprate(2-), (4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(4-))-, dipotassiumDipotassium (4-(4,5-dihydro-4-((2-hydroxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonato(4-))cuprate(2-)
데이터베이스 식별자
- CAS
94314-07-5- PubChem CID
- 175607
- EC Number
- 305-007-5
물성
구조 계산 물성
- 극성 표면적
- 272 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,060
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
화학 및 산업
용도 및 제조
General Manufacturing InformationCuprate(2-), [4-[4,5-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonato(4-)]-, potassium (1:2): INACTIVE
관련 반응
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