sodium;5-[[4-chloro-6-[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[4-chloro-6-[4-[(4Z)-4-(2-hydroxy-5-sulfonatophenyl)azanidylimino-3-methyl-5-oxopyrazol-1-yl]anilino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;cobalt
기본 정보
- CAS
94292-07-6- 표준 SMILES
CC1=NN(c2ccc(Nc3nc(Cl)nc(Nc4cc(Nc5nc(F)nc(F)c5Cl)ccc4S(=O)(=O)[O-])n3)cc2)C(=O)/C1=N\[N-]c1cc(S(=O)(=O)[O-])ccc1O.O=S(=O)([O-])c1ccc(O)c(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(Nc4nc(Cl)nc(Nc5cc(Nc6nc(F)nc(F)c6Cl)ccc5S(=O)(=O)[O-])n4)c3c2O)c1.[Co].[Na+]- InChIKey
PFPOKUBKBFAPHO-UHFFFAOYSA-G- 분자식
- C58H31Cl4CoF4N22NaO22S6-6
- 평균 분자량
- 1,880.1 g/mol
- 단동위원소 질량
- 1,876.822739
이름 및 식별자
- 우선 이름
- sodium;5-[[4-chloro-6-[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[4-chloro-6-[4-[(4Z)-4-(2-hydroxy-5-sulfonatophenyl)azanidylimino-3-methyl-5-oxopyrazol-1-yl]anilino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;cobalt
- IUPAC
- sodium;5-[[4-chloro-6-[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate;4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[4-chloro-6-[4-[(4Z)-4-(2-hydroxy-5-sulfonatophenyl)azanidylimino-3-methyl-5-oxopyrazol-1-yl]anilino]-1,3,5-triazin-2-yl]amino]benzenesulfonate;cobalt
이름 및 동의어
DTXSID301378180
데이터베이스 식별자
- CAS
94292-07-6- PubChem CID
- 177844352
- DTXSID
DTXSID301378180
물성
구조 계산 물성
- 극성 표면적
- 726 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 47
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 118
- 형식 전하
- -6
- 복잡도
- 4,130
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