(4Z)-4-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonic acid
기본 정보
- CAS
6949-15-1- 표준 SMILES
Cc1cc(N=Nc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2C)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1- InChIKey
IYUCGDXZYHLGQX-UHFFFAOYSA-N- 분자식
- C34H26N6O13S4
- 평균 분자량
- 854.9 g/mol
- 단동위원소 질량
- 854.0440696
이름 및 식별자
- 우선 이름
- (4Z)-4-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonic acid
- IUPAC
- 4-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
- 영어명
- 1,3-Naphthalenedisulfonicacid,7-[2-[4-[2-[4-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-,sodium salt (1:4)
- 분자식
- C34H26N6O13S4
- 분자량
- 854.86264
이름 및 동의어
NSC658476949-15-1NSC-658474-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acidCHEMBL1980556SCHEMBL14418524(4Z)-4-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonic acid4-{4-[4-(6,8-Disulfo-naphthalen-2-ylazo)-3-methyl-phenylazo]-3-methyl-phenylazo}-3-hydroxy-naphthalene-2,7-disulfonic acid1, 7-[[4-[[4-[(2-hydroxy- 3,6-disulfo-1-naphthalenyl)azo]-2-methylphenyl]azo]-2- methylphenyl]azo]-, tetrasodium salt4-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonic acid1,3-Naphthalenedisulfonicacid,7-[2-[4-[2-[4-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-,sodium salt (1:4)
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 345 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,960
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