기본 정보
- CAS
72102-68-2- 표준 SMILES
Cc1c(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)[O-])c3)n2)cc(S(=O)(=O)[O-])cc1N1N=C(C(=O)O)C(N=Nc2cc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)[O-])c4)n3)ccc2S(=O)(=O)[O-])C1=O.[Na+].[Na+].[Na+].[Na+]- InChIKey
FRNXZQMWQFLFJP-UHFFFAOYSA-J- 분자식
- C35H22Cl2N14Na4O15S4
- 평균 분자량
- 1,169.8 g/mol
- 단동위원소 질량
- 1,167.9239733
이름 및 식별자
- 우선 이름
- 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt
- IUPAC
- tetrasodium;3-[3-carboxy-4-[[5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-methylbenzenesulfonate
이름 및 동의어
72102-68-21H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium saltDTXSID2013405041-(3-((4-Chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, tetrasodium salt1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)1-[3-[[4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[2-[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid sodium (1:4)
물성
구조 계산 물성
- 극성 표면적
- 482 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 28
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 74
- 형식 전하
- 0
- 복잡도
- 2,360
화학 및 산업
용도 및 제조
General Manufacturing Information
1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[2-[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-, sodium salt (1:4): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…