기본 정보
- CAS
71033-06-2- 표준 SMILES
Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)c1- InChIKey
HAULGSWNNVRSDU-UHFFFAOYSA-N- 분자식
- C38H32N8O7S2
- 평균 분자량
- 776.8 g/mol
- 단동위원소 질량
- 776.18353774
이름 및 식별자
- 우선 이름
- 1,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(4-(2-(4-((4-aminobenzoyl)amino)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-
- IUPAC
- 7-[[4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
이름 및 동의어
1,3-Naphthalenedisulfonic acid, 7-((4-((4-((4-((4-aminobenzoyl)amino)-2-methylphenyl)azo)-2-methylphenyl)azo)-2-methylphenyl)azo)-DTXSID908878221,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(4-(2-(4-((4-aminobenzoyl)amino)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-7-((4-((4-((4-(p-Aminobenzamido)-o-tolyl)azo)-o-tolyl)azo)-o-tolyl)azo)-1,3-naphthalenedisulfonic acid1,3-Naphthalenedisulfonic acid, 7-[[4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]azo]-2-methylphenyl]azo]-2-methylphenyl]azo]-1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-[4-[2-[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-RefChem:415357DTXCID90102710771033-06-27-({4-[(4-{[4-(4-Aminobenzamido)-2-methylphenyl]diazenyl}-2-methylphenyl)diazenyl]-2-methylphenyl}diazenyl)naphthalene-1,3-disulfonic acid
데이터베이스 식별자
- CAS
71033-06-2- PubChem CID
- 416583
- DTXSID
DTXSID90887822- Nikkaji
- J446.649G
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 255 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,610
화학 및 산업
용도 및 제조
General Manufacturing Information1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-[4-[2-[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-: INACTIVE
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