Cobaltate(1-), (N-(8-((5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-7-(hydroxy-kappaO)-1-naphthalenyl)acetamidato(2-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN2)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, sodium
기본 정보
- CAS
68966-96-1- 표준 SMILES
CC(=O)Nc1cccc2ccc(O)c(N=Nc3cc(S(N)(=O)=O)ccc3O)c12.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc(S(N)(=O)=O)ccc1O.[Co].[Na+]- InChIKey
GZWKTUZPVMBPHX-UHFFFAOYSA-N- 분자식
- C34H30CoN9NaO9S2
- 평균 분자량
- 854.7 g/mol
- 단동위원소 질량
- 854.083754
이름 및 식별자
- 우선 이름
- Cobaltate(1-), (N-(8-((5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-7-(hydroxy-kappaO)-1-naphthalenyl)acetamidato(2-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN2)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, sodium
- IUPAC
- sodium;cobalt;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-1-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide
이름 및 동의어
EINECS 273-460-5Cobaltate(1-), (N-(8-((5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-7-(hydroxy-kappaO)-1-naphthalenyl)acetamidato(2-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN2)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, sodiumCobaltate(1-), (N-(8-(2-(5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-7-(hydroxy-kappaO)-1-naphthalenyl)acetamidato(2-))(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN2)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, sodium (1:1)
데이터베이스 식별자
- CAS
68966-96-1- PubChem CID
- 90659567
물성
구조 계산 물성
- 극성 표면적
- 309 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,640
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