기본 정보
- CAS
85567-09-5- 표준 SMILES
CCN(CC)CCS(=O)(=O)c1ccc(N=NC2C(=O)N(c3ccc(S(=O)(=O)[O-])cc3)N=C2C(=O)[O-])cc1.[Na+].[Na+]- InChIKey
YWOAZUOUIANHHN-UHFFFAOYSA-L- 분자식
- C22H23N5Na2O8S2
- 평균 분자량
- 595.6 g/mol
- 단동위원소 질량
- 595.07834362
이름 및 식별자
- 우선 이름
- 4-((4-((2-(Diethylamino)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
- IUPAC
- disodium;4-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
- 영어명
- 4-[[4-[[2-(diethylamino)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
- 분자식
- C22H23N5Na2O8S2
- 분자량
- 595.55626
이름 및 동의어
85567-09-5EINECS 287-721-64-((4-((2-(Diethylamino)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium saltYWOAZUOUIANHHN-UHFFFAOYSA-LDTXSID501006129Disodium 4-({4-[2-(diethylamino)ethanesulfonyl]phenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate4-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate4-[[4-[[2-(diethylamino)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt4-[[4-[[2-(Diethylamino)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid/sodium,(1:x) salt
데이터베이스 식별자
- CAS
85567-09-5- PubChem CID
- 56842579
- DTXSID
DTXSID501006129- EC Number
- 287-721-6
물성
구조 계산 물성
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,070
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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