기본 정보
- CAS
68239-47-4- 표준 SMILES
CC(=O)Nc1cccc2ccc([O-])c(N=Nc3cc(S(N)(=O)=O)ccc3[O-])c12.CC1=NN(c2ccccc2)C(=O)C1N=Nc1cc(S(N)(=O)=O)ccc1[O-].[Co+3]- InChIKey
GYYKAVHKTXLJDL-UHFFFAOYSA-K- 분자식
- C34H28CoN9O9S2
- 평균 분자량
- 829.7 g/mol
- 단동위원소 질량
- 829.078334
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-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamid
- IUPAC
- 8-acetamido-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate;cobalt(3+);2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate
이름 및 동의어
EINECS 269-444-2Cobaltate(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-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidCobaltate(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-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, hydrogenCobaltate(1-), (N-(8-((5-(aminosulfonyl)-2-hydroxyphenyl)azo)-7-hydroxy-1-naphthalenyl)acetamidato(2-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogenCobaltate(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-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, hydrogen (1:1)cobalt(3+) 8-(acetylamino)-1-[(e)-(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate 2-[(e)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate(1:1:1)
물성
구조 계산 물성
- 극성 표면적
- 317 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,390
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