6,13-Dichloro-3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)-10-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid
기본 정보
- CAS
94133-49-0- 표준 SMILES
O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Nc1ccc2c(c1S(=O)(=O)O)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1c(ccc(Nc2ccc(Nc4nc(Cl)nc(Cl)n4)c(S(=O)(=O)O)c2S(=O)(=O)O)c1S(=O)(=O)O)N=3- InChIKey
WNTULFIDBUTFBV-UHFFFAOYSA-N- 분자식
- C36H18Cl6N12O17S5
- 평균 분자량
- 1,263.6 g/mol
- 단동위원소 질량
- 1,259.764759
이름 및 식별자
- 우선 이름
- 6,13-Dichloro-3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)-10-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid
- IUPAC
- 6,13-dichloro-3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,3-disulfoanilino]-10-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfoanilino]-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
이름 및 동의어
EINECS 302-709-36,13-Dichloro-3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)-10-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid94133-49-0DTXSID902406706,13-dichloro-3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulphophenyl]amino]-10-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulphophenyl]amino]triphenodioxazine-4,11-disulphonic acidRefChem:103710DTXCID20163161302-709-3NS000400956,13-Dichloro-3-{4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,3-disulfoanilino}-10-{4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfoanilino}[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
데이터베이스 식별자
- CAS
94133-49-0- PubChem CID
- 56841489
- DTXSID
DTXSID90240670- EC Number
- 302-709-3
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 482 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 29
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 2,950
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulfophenyl]amino]-10-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulfophenyl]amino]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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