기본 정보
- CAS
70209-88-0- 표준 SMILES
COc1cc(N=Nc2ccc(O)c(C(=O)[O-])c2)c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2cc(NC(=O)C(N=Nc3ccccc3C(=O)[O-])C(C)=O)ccc12.[Na+].[Na+].[Na+].[Na+]- InChIKey
UAUWAILLMHXISG-UHFFFAOYSA-J- 분자식
- C39H25N7Na4O15S2
- 평균 분자량
- 987.7 g/mol
- 단동위원소 질량
- 987.04408259
이름 및 식별자
- 우선 이름
- Benzoic acid, 5-[2-[4-[2-[6-[[2-[2-(2-carboxyphenyl)diazenyl]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[4-[[6-[[2-[(2-carboxylatophenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonatonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonatonaphthalen-1-yl]diazenyl]-2-hydroxybenzoate
이름 및 동의어
70209-88-0DTXSID00890049EINECS 274-387-15-((4-((6-((2-((2-Carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxybenzoic acid, tetrasodium saltBenzoic acid, 5-((4-((6-((2-((2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxy-, tetrasodium saltBenzoic acid, 5-(2-(4-(2-(6-((2-(2-(2-carboxyphenyl)diazenyl)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl)-3-methoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:4)Benzoic acid, 5-[2-[4-[2-[6-[[2-[2-(2-carboxyphenyl)diazenyl]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:4)Benzoic acid, 5-[[4-[[6-[[2-[(2-carboxyphenyl)azo]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]azo]-3-methoxy-7-sulfo-1-naphthalenyl]azo]-2-hydroxy-, tetrasodium saltRefChem:118493DTXCID201078973Tetrasodium 5-((4-((6-((2-((2-carboxylatophenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulphonato-1-naphthyl)azo)-3-methoxy-7-sulphonato-1-naphthyl)azo)salicylate
물성
구조 계산 물성
- 극성 표면적
- 381 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 67
- 형식 전하
- 0
- 복잡도
- 1,960
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzoic acid, 5-[[4-[[6-[[2-[(2-carboxyphenyl)azo]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]azo]-3-methoxy-7-sulfo-1-naphthalenyl]azo]-2-hydroxy-, tetrasodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 5-[2-[4-[2-[6-[[2-[2-(2-carboxyphenyl)diazenyl]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:4): INACTIVE
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