기본 정보
- CAS
16249-87-9- 표준 SMILES
Cc1ccc2nc(-c3ccc4nc(C5C(=O)c6ccc(C(=O)[O-])cc6C5=O)ccc4c3)sc2c1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
OUZJHSOHERXFRU-UHFFFAOYSA-L- 분자식
- C27H14N2Na2O7S2
- 평균 분자량
- 588.5 g/mol
- 단동위원소 질량
- 588.0037817
이름 및 식별자
- 우선 이름
- 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, sodium salt (1:2)
- IUPAC
- disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate
- 영어명
- disodium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylate
- 분자식
- C27H14N2Na2O7S2
- 분자량
- 588.5188
이름 및 동의어
16249-87-9DTXSID80889653EINECS 240-361-31H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, disodium salt1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, sodium salt (1:2)1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, sodium salt (1:2)1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, disodium saltRefChem:79863DTXCID001031127Disodium 2-(6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxoindan-5-carboxylateDisodium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylateOUZJHSOHERXFRU-UHFFFAOYSA-L
이름 더 보기
2,3-Dihydro-2-[6-[6-methyl-7-(sodiooxysulfonyl)-2-benzothiazolyl]-2-quinolinyl]-1,3-dioxo-1H-indene-5-carboxylic acid sodium salt
disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylateNS00054026disodium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylate
데이터베이스 식별자
- CAS
16249-87-9- PubChem CID
- 85348
- DTXSID
DTXSID80889653- EC Number
- 240-361-3
- Nikkaji
- J286.849K
물성
구조 계산 물성
- 극성 표면적
- 194 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,070
물리화학적 성질
- EPA
- 1 H-Indene-5-carboxylic · 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, disodium salt (16249-87-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, sodium salt (1:2): INACTIVE
공급사1 곳
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