기본 정보
- CAS
7401-38-9- 표준 SMILES
Cc1cc(N=Nc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccc(S(=O)(=O)O)cc23)ccc1N=Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1- InChIKey
GVSVWYKBBAIBAQ-UHFFFAOYSA-N- 분자식
- C41H30N6O9S2
- 평균 분자량
- 814.8 g/mol
- 단동위원소 질량
- 814.1515689
이름 및 식별자
- 우선 이름
- 7-((E)-(4-((E)-(4-((4-(Benzoylamino)benzoyl)amino)-7-sulfo-1-naphthyl)diazenyl)-2-methylphenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonic acid
- IUPAC
- 7-[[4-[[4-[(4-benzamidobenzoyl)amino]-7-sulfonaphthalen-1-yl]diazenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
이름 및 동의어
NSC 587837401-38-9NSC587837-((E)-(4-((E)-(4-((4-(Benzoylamino)benzoyl)amino)-7-sulfo-1-naphthyl)diazenyl)-2-methylphenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonic acid7-((E)-{4-[(E)-(4-{[4-(Benzoylamino)benzoyl]amino}-7-sulfo-1-naphthyl)diazenyl]-2-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acidJAK9RD6TNC2-Naphthalenesulfonic acid, 5'-(p-benzamidobenzamido)-4-hydroxy-7,8'-[(methyl-p-phenylene)diazo]di-2-Naphthalenesulfonic acid, 7-[2-[4-[2-[4-[[4-(benzoylamino)benzoyl]amino]-7-sulfo-1-naphthalenyl]diazenyl]-2-methylphenyl]diazenyl]-4-hydroxy-7-[(E)-[4-[(E)-[4-[(4-benzamidobenzoyl)amino]-7-sulfo-1-naphthyl]azo]-2-methyl-phenyl]azo]-4-hydroxy-naphthalene-2-sulfonic acid7-[2-[4-[2-[4-[[4-(Benzoylamino)benzoyl]amino]-7-sulfo-1-naphthalenyl]diazenyl]-2-methylphenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid802840-74-0
데이터베이스 식별자
- CAS
7401-38-9、802840-74-0- PubChem CID
- 414429
- UNII
- JAK9RD6TNC
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 253 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,710
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