기본 정보
- CAS
24681-18-3- 표준 SMILES
CC(=O)C(N=Nc1ccc(C=Cc2ccc(-n3nc4cc(S(=O)(=O)O)c5ccccc5c4n3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)C(C)=O- InChIKey
RLAAWRVSLGRFJS-UHFFFAOYSA-N- 분자식
- C29H23N5O11S3
- 평균 분자량
- 713.7 g/mol
- 단동위원소 질량
- 713.05562009
이름 및 식별자
- 우선 이름
- 2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[(1-acetyl-2-oxopropyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-
- IUPAC
- 2-[4-[2-[4-(2,4-dioxopentan-3-yldiazenyl)-2-sulfophenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid
이름 및 동의어
24681-18-32-[4-(2-{4-[(e)-(2,4-dioxopentan-3-yl)diazenyl]-2-sulfophenyl}ethenyl)-3-sulfophenyl]-2h-naphtho[1,2-d][1,2,3]triazole-5-sulfonic acid2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[(1-acetyl-2-oxopropyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-EINECS 246-400-02H-Naphtho(1,2-d)triazole-5-sulfonic acid, 2-(4-(2-(4-((1-acetyl-2-oxopropyl)azo)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-RLAAWRVSLGRFJS-UHFFFAOYSA-NAKOS0302398402H-Naphtho(1,2-d)triazole-5-sulfonic acid, 2-(4-(2-(4-(2-(1-acetyl-2-oxopropyl)diazenyl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-2H-Naphtho(1,2-d)triazole-5-sulfonic acid, 2-(4-(4-((2,4-dioxopent-3-yl)azo)-2-sulfostyryl)-3-sulfophenyl)-2-(4-(4-((1-Acetylacetonyl)azo)-2-sulphostyryl)-3-sulphophenyl)-2H-naphtho(1,2-d)triazole-5-sulphonic acid
데이터베이스 식별자
- CAS
24681-18-3- PubChem CID
- 91213
- DTXSID
DTXSID9067013- EC Number
- 246-400-0
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 278 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,590
화학 및 산업
용도 및 제조
General Manufacturing Information2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[2-(1-acetyl-2-oxopropyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-: INACTIVE
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