기본 정보
- CAS
6459-89-8- 표준 SMILES
Nc1ccc2c(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(N)c6c5O)cc4)cc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+]- InChIKey
IIWQJZAFAALJEA-UHFFFAOYSA-K- 분자식
- C32H21N6Na3O11S3
- 평균 분자량
- 830.7 g/mol
- 단동위원소 질량
- 830.01235187
이름 및 식별자
- 우선 이름
- 5-Amino-3-((4'-((6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, sodium salt
- IUPAC
- trisodium;5-amino-3-[[4-[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- 영어명
- 5-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid, sodium salt
- 분자식
- C32H21N6Na3O11S3
- 분자량
- 830.70705
이름 및 동의어
94199-55-0EINECS 303-428-95-Amino-3-((4'-((6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, sodium saltDTXSID4010238052,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4a(2)-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl][1,1a(2)-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:3)6459-89-85-Amino-3-[[4'-[(6-amino-1-hydroxy-3-sulfo-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulfoni5-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid, sodium salt5-Amino-3-[[4'-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid/sodium,(1:x) salt(3Z)-5-amino-3-[[4-[4-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 339 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,590
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