2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylphenylamino)-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)
기본 정보
- CAS
111353-83-4- 표준 SMILES
CN(c1ccccc1)c1nc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4ccccc4S(=O)(=O)[O-])c(O)c23)n1.[Na+].[Na+].[Na+].[Na+]- InChIKey
NQOCAADRFKDYIE-UHFFFAOYSA-J- 분자식
- C34H26N8Na4O16S5
- 평균 분자량
- 1,054.9 g/mol
- 단동위원소 질량
- 1,053.9661098
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylphenylamino)-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;4-hydroxy-5-[[4-(N-methylanilino)-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
- 영어명
- 1-[4-[3-[[2-(Sodiooxysulfonyloxy)ethyl]sulfonyl]phenylamino]-6-[phenyl(methyl)amino]-1,3,5-triazine-2-ylamino]-8-hydroxy-7-[2-(sodiooxysulfonyl)phenylazo]naphthalene-3,6-bis(sulfonic acid sodium) salt
- 분자량
- 0
이름 및 동의어
DTXSID401361031111353-83-42,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-(methylphenylamino)-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)4-Hydroxy-5-[4-(N-methylanilino)-6-[m-[2-(sodiooxysulfonyloxy)ethylsulfonyl]anilino]-1,3,5-triazin-2-ylamino]-3-(o-sodiosulfophenylazo)-2,7-naphthalenedisulfonic acid disodium salt4-Hydroxy-5-[[4-(methylphenylamino)-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(2-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid tetrasodium salt1-[4-[3-[[2-(Sodiooxysulfonyloxy)ethyl]sulfonyl]phenylamino]-6-[phenyl(methyl)amino]-1,3,5-triazine-2-ylamino]-8-hydroxy-7-[2-(sodiooxysulfonyl)phenylazo]naphthalene-3,6-bis(sulfonic acid sodium) salt
데이터베이스 식별자
- CAS
111353-83-4- PubChem CID
- 177841946
- DTXSID
DTXSID401361031- EC Number
- 601-077-9
물성
구조 계산 물성
- 극성 표면적
- 425 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 67
- 형식 전하
- 0
- 복잡도
- 2,090
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