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3-[2-(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]ethyl]sulfonyl]phenyl]-4-methoxybenzenesulfonamide

HCID 3018933
노트반응

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기본 정보

CAS
80396-84-5
표준 SMILES
CCCCCCCCCCCCCCCCOc1ccc(C2=C(C(C)S(=O)(=O)c3ccc(NS(=O)(=O)c4ccc(OC)c(N=NC5C(=O)N(c6ccccc6)N=C5C)c4)cc3)C(=O)C=C(C)C2=O)cc1
InChIKey
ODKNTYSGNFUPOI-UHFFFAOYSA-N
분자식
C54H65N5O9S2
평균 분자량
992.274 g/mol
단동위원소 질량
991.42237066

이름 및 식별자

우선 이름
3-[2-(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]ethyl]sulfonyl]phenyl]-4-methoxybenzenesulfonamide
영어명
3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl]sulphonyl]phenyl]-4-methoxybenzenesulphonamide
분자식
C54H65N5O9S2
분자량
992.25

이름 및 동의어

Einecs 279-454-93-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl]sulphonyl]phenyl]-4-methoxybenzenesulphonamide3-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N-(4-((1-(2-(4-(hexadecyloxy)phenyl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl)sulphonyl)phenyl)-4-methoxybenzenesulphonamide3-[[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol)-4-yl]azo]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-ethyl]sulfonyl]phenyl]-4-methoxybenzenesulfonamideBenzenesulfonamide, 3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]ethyl]sulfonyl]phenyl]-4-methoxy-

데이터베이스 식별자

CAS
80396-84-5
PubChem CID
3018933
DTXSID
DTXSID801098428
EC Number
279-454-9
Nikkaji
J320.265H

물성

물리화학적 성질

끓는 점
1045.5 · 1045.5±75.0 °C(Predicted)
밀도
1.24 · 1.24±0.1 g/cm3(Predicted)
산도 계수 (pKa)
5.77 · 5.77±0.10(Predicted)

관련 반응

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