기본 정보
- CAS
68399-92-8- 표준 SMILES
O=S(=O)(O)OCCN(CCOS(=O)(=O)O)c1ccc(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(Cl)c1- InChIKey
FTENRQAJNISAOG-UHFFFAOYSA-N- 분자식
- C18H22ClN3O14S4
- 평균 분자량
- 668.1 g/mol
- 단동위원소 질량
- 666.9673148
이름 및 식별자
- 우선 이름
- 2,2'-((3-Chloro-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)phenyl)imino)bisethyl bis(hydrogensulphate)
- IUPAC
- 2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-chlorophenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate
- 영어명
- 2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogensulphate)
- 분자식
- C18H22ClN3O14S4
- 분자량
- 668.09
이름 및 동의어
68399-92-8EINECS 269-999-02,2'-((3-Chloro-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)phenyl)imino)bisethyl bis(hydrogensulphate)SCHEMBL13880643FTENRQAJNISAOG-UHFFFAOYSA-NDTXSID301105450NS00121429Ethanol, 2,2a(2)-[[3-chloro-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenyl]imino]bis-, bis(hydrogen sulfate) (ester)2,2'-[[3-Chloro-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenyl]imino]diethanol bis(hydrogen sulfate)2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogensulphate)Sulfuric acid hydrogen 2-[[4-[[2-chloro-4-[bis(2-sulfooxyethyl)amino]phenyl]azo]phenyl]sulfonyl]ethyl esterEthanol, 2,2'-[[3-chloro-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenyl]imino]bis-, bis(hydrogen sulfate) (ester)
이름 더 보기
Ethanol, 2,2'-[[3-chloro-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenyl]imino]bis-, bis(hydrogen sulfate) (ester) (9CI)
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 286 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,210
관련 반응
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