기본 정보
- CAS
16452-02-1- 표준 SMILES
COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O- InChIKey
HQWQFTNOKTZRTH-UHFFFAOYSA-N- 분자식
- C20H20N2O11S3
- 평균 분자량
- 560.6 g/mol
- 단동위원소 질량
- 560.02292298
이름 및 식별자
- 우선 이름
- 4-Hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalenesulphonic acid
- IUPAC
- 4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid
- 영어명
- 4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonic acid
- 분자식
- C20H20N2O11S3
- 분자량
- 560.57
이름 및 동의어
16452-02-1EINECS 240-501-3SCHEMBL13880656HQWQFTNOKTZRTH-UHFFFAOYSA-NDTXSID1011087534-Hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalenesulphonic acid4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonic acNS000522784-Hydroxy-3-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-naphthalenesulfonic acid4-Hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-naphthalenesulfonic acid4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonic acid
이름 더 보기
1-Naphthalenesulfonic acid, 4-hydroxy-3-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 231 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,090
화학 및 산업
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