Chromium, (4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-N,N-bis(2-hydroxyethyl)-1-naphthalenesulfonamidato(2-))(2-(3-(2,5-dihydroxyphenyl)-1-(oxo-kappaO)propyl)cyclopentanonato-kappaO)-
기본 정보
- CAS
68900-71-0- 표준 SMILES
Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1c(O)cc(S(=O)(=O)N(CCO)CCO)c2ccccc12.O=C(CCc1cc(O)ccc1O)C1=C(O)CCC1.[Cr]- InChIKey
BLMVUKHLARXLDN-UHFFFAOYSA-N- 분자식
- C38H40CrN5O10S-
- 평균 분자량
- 810.8 g/mol
- 단동위원소 질량
- 810.190093
이름 및 식별자
- 우선 이름
- Chromium, (4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-N,N-bis(2-hydroxyethyl)-1-naphthalenesulfonamidato(2-))(2-(3-(2,5-dihydroxyphenyl)-1-(oxo-kappaO)propyl)cyclopentanonato-kappaO)-
- IUPAC
- chromium;3-(2,5-dihydroxyphenyl)-1-(2-hydroxycyclopenten-1-yl)propan-1-one;3-hydroxy-N,N-bis(2-hydroxyethyl)-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]naphthalene-1-sulfonamide
이름 및 동의어
68900-71-0Chromium, (4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-N,N-bis(2-hydroxyethyl)-1-naphthalenesulfonamidato(2-))(2-(3-(2,5-dihydroxyphenyl)-1-(oxo-kappaO)propyl)cyclopentanonato-kappaO)-Chromium, (4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-N,N-bis(2-hydroxyethyl)-1-naphthalenesulfonamidato(2-))(2-(3-(2,5-dihydroxyphenyl)-1-(oxo-kappaO)propyl)cyclopentanonato-kappaO)-
데이터베이스 식별자
- CAS
68900-71-0- PubChem CID
- 90659510
물성
구조 계산 물성
- 극성 표면적
- 242 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 55
- 형식 전하
- -1
- 복잡도
- 1,480
화학 및 산업
용도 및 제조
General Manufacturing Information
Chromium, [4-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-N,N-bis(2-hydroxyethyl)-1-naphthalenesulfonamidato(2-)][2-[3-(2,5-dihydroxyphenyl)-1-(oxo-.kappa.O)propyl]cyclopentanonato-.kappa.O]-: INACTIVE
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