Disodium p-(4,5-dihydro-5-imino-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)benzenesulphonate
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기본 정보
- CAS
97403-76-4- 표준 SMILES
COc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1N=NC1C(=N)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C.[Na+].[Na+]- InChIKey
TWSPAFSLXUXXNH-UHFFFAOYSA-L- 분자식
- C19H19N5Na2O10S3
- 평균 분자량
- 619.6 g/mol
- 단동위원소 질량
- 619.0089439
이름 및 식별자
- 우선 이름
- Disodium p-(4,5-dihydro-5-imino-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)benzenesulphonate
- IUPAC
- disodium;4-[5-imino-4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-4H-pyrazol-1-yl]benzenesulfonate
- 영어명
- disodium p-[4,5-dihydro-5-imino-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonate
- 분자식
- C19H19N5Na2O10S3
- 분자량
- 619.5562
이름 및 동의어
EINECS 306-738-297403-76-4Disodium p-(4,5-dihydro-5-imino-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)benzenesulphonateBenzenesulfonic acid, 4-(4,5-dihydro-5-imino-4-((2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)-, disodium saltTWSPAFSLXUXXNH-UHFFFAOYSA-LDTXSID901373895NS00065990Benzenesulfonic acid, 4-[4,5-dihydro-5-imino-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-1H-pyrazol-1-yl]-, sodium salt (1:2)4-[5-imino-4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-4H-pyrazol-1-yl]benzenesulfonatedisodium p-[4,5-dihydro-5-imino-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonatedisodium p-[4,5-dihydro-5-imino-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonate4-[[4,5-Dihydro-5-imino-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-3-methyl-1H-pyrazol]-1-yl]benzenesulfonic acid disodium salt
물성
구조 계산 물성보충 중
- 극성 표면적
- 256 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,180
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