Disodium 5-((4-(((4-((6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl)azo)-2,5-diethoxyphenyl)amino)carbonyl)phenyl)azo)salicylate
기본 정보
- CAS
83249-32-5- 표준 SMILES
CCOc1cc(NC(=O)c2ccc(N=Nc3ccc(O)c(C(=O)[O-])c3)cc2)c(OCC)cc1N=Nc1c(S(=O)(=O)[O-])cc2c(N=Nc3nc[nH]n3)c(N)ccc2c1O.[Na+].[Na+]- InChIKey
KIDFZKNPMVXNAG-VLTQNNAGSA-N- 분자식
- C36H29N11Na2O10S
- 평균 분자량
- 853.7 g/mol
- 단동위원소 질량
- 853.1614959
이름 및 식별자
- 우선 이름
- Disodium 5-((4-(((4-((6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl)azo)-2,5-diethoxyphenyl)amino)carbonyl)phenyl)azo)salicylate
- IUPAC
- disodium;5-[[4-[[4-[[6-amino-1-hydroxy-3-sulfonato-5-(1H-1,2,4-triazol-3-yldiazenyl)naphthalen-2-yl]diazenyl]-2,5-diethoxyphenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoate
- 영어명
- disodium 5-[[4-[[[4-[[6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl]azo]-2,5-diethoxyphenyl]amino]carbonyl]phenyl]azo]salicylate
- 분자식
- C36H32N11NaO10S
- 분자량
- 833.77
이름 및 동의어
83249-32-5Disodium 5-((4-(((4-((6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl)azo)-2,5-diethoxyphenyl)amino)carbonyl)phenyl)azo)salicylateDisodium 5-[[4-[[[4-[[6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl]azo]-2,5-diethoxyphenyl]amino]carbonyl]phenyl]azo]salicylateDTXSID501033742EINECS 280-300-85-[[4[[[4-[[6-amino-1-hydroxy-3-sulfo-5-(1H-1,2,4-triazol-3-ylazo)-2-naphthalenyl]azo]-2,5-diethoxyphenyl]amino]carbonyl]phenyl]azo]-2-hydroxybenzoic acid disodium salt5-[[4-[[[4-[[6-Amino-1-hydroxy-3-sulfo-5-[(1H-1,2,4-triazol-3-yl)azo]-2-naphthalenyl]azo]-2,5-diethoxyphenyl]amino]carbonyl]phenyl]azo]-2-hydroxybenzoic acid disodium saltdisodium (3Z)-3-[[4-[[4-[(2E)-2-[6-amino-1-oxo-3-sulfonato-5-((2Z)-2-(1,2,4-triazol-3-ylidene)hydrazinyl)naphthalen-2-ylidene]hydrazinyl]-2,5-diethoxy-phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 335 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,560
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