기본 정보
- CAS
72829-13-1- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(NC(=O)c2ccc(N=NC3C(=O)N(c4ccc(S(=O)(=O)[O-])cc4)N=C3C)cc2)cc1.[Na+].[Na+]- InChIKey
ZAKDIUJDZSMNSX-UHFFFAOYSA-L- 분자식
- C33H25N9Na2O9S2
- 평균 분자량
- 801.7 g/mol
- 단동위원소 질량
- 801.10120432
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
- IUPAC
- disodium;4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
이름 및 동의어
72829-13-1Benzenesulfonic acid, 4-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium saltBenzenesulfonic acid, 4-[4-[[4-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium saltEINECS 276-905-1Benzenesulfonic acid, 4-(4-(2-(4-((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)NS00090800Disodium p-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
데이터베이스 식별자
- CAS
72829-13-1- PubChem CID
- 175194
- EC Number
- 276-905-1
물성
구조 계산 물성
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,700
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 4-[4-[2-[4-[[4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2): INACTIVE
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