수소[4-[4-(디에틸아미노)-알파-(3,7-디술포네이토-1-나프틸)벤질리덴]시클로헥사-2,5-디엔-1-일리덴]디에틸암모늄,암모늄염
Hydrogen (4-(4-(diethylamino)-alpha-(3,7-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, ammonium salt
기본 정보
- CAS
97890-03-4- 표준 SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])cc3ccc(S(=O)(=O)O)cc23)cc1.N- InChIKey
NHLRYOHDTISUIW-UHFFFAOYSA-N- 분자식
- C31H37N3O6S2
- 평균 분자량
- 611.8 g/mol
- 단동위원소 질량
- 611.21237826
이름 및 식별자
- 우선 이름
- Hydrogen (4-(4-(diethylamino)-alpha-(3,7-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, ammonium salt
- IUPAC
- azane;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-sulfonaphthalene-2-sulfonate
- 현지명
- 수소[4-[4-(디에틸아미노)-알파-(3,7-디술포네이토-1-나프틸)벤질리덴]시클로헥사-2,5-디엔-1-일리덴]디에틸암모늄,암모늄염
- 영어명
- hydrogen [4-[4-(diethylamino)-alpha-(3,7-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, ammonium salt
- 분자식
- C31H39N4O6S2+
- 분자량
- 627.79456
이름 및 동의어
97890-03-4EINECS 308-182-6Hydrogen (4-(4-(diethylamino)-alpha-(3,7-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, ammonium salthydrogen [4-[4-(diethylamino)-alpha-(3,7-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, ammonium saltDTXSID402433334-{[4-(Diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-6-sulfonaphthalene-2-sulfonate--ammonia (1/1)수소[4-[4-(디에틸아미노)-알파-(3,7-디술포네이토-1-나프틸)벤질리덴]시클로헥사-2,5-디엔-1-일리덴]디에틸암모늄,암모늄염4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-sulfonaphthalene-2-sulfonatehydrogen [4-[4-(diethylamino)-α-(3,7-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, ammonium saltN-[4-[[4-(Diethylamino)phenyl](3-sulfonato-7-ammoniooxysulfonyl-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,180
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