이수소3-[메틸(2-설포나토에틸)아미노]-6-[[3-[[2-(설포나토옥시)에틸]설포닐]페닐]아미노]-9-(2-설포나토페닐)자일륨,나트륨염
Dihydrogen 3-(methyl(2-sulphonatoethyl)amino)-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-9-(2-sulphonatophenyl)xanthylium, sodium salt
기본 정보
- CAS
85567-12-0- 표준 SMILES
C[N+](CCS(=O)(=O)[O-])=c1ccc2c(-c3ccccc3S(=O)(=O)[O-])c3ccc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c4)cc3oc-2c1.[Na+].[Na+]- InChIKey
YAUPLLZUGWWZFG-UHFFFAOYSA-L- 분자식
- C30H26N2Na2O13S4
- 평균 분자량
- 796.8 g/mol
- 단동위원소 질량
- 796.01131215
이름 및 식별자
- 우선 이름
- Dihydrogen 3-(methyl(2-sulphonatoethyl)amino)-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-9-(2-sulphonatophenyl)xanthylium, sodium salt
- IUPAC
- disodium;2-[3-[methyl(2-sulfonatoethyl)azaniumylidene]-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]xanthen-9-yl]benzenesulfonate
- 현지명
- 이수소3-[메틸(2-설포나토에틸)아미노]-6-[[3-[[2-(설포나토옥시)에틸]설포닐]페닐]아미노]-9-(2-설포나토페닐)자일륨,나트륨염
- 영어명
- dihydrogen 3-[methyl(2-sulphonatoethyl)amino]-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-9-(2-sulphonatophenyl)xanthylium , sodium salt
- 분자식
- C30H26N2Na2O13S4
- 분자량
- 796.77258
이름 및 동의어
EINECS 287-724-285567-12-0Dihydrogen 3-(methyl(2-sulphonatoethyl)amino)-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium saltYAUPLLZUGWWZFG-UHFFFAOYSA-LDTXSID801006130Disodium 2-(3-[methyl(2-sulfonatoethyl)iminio]-6-{3-[2-(sulfonatooxy)ethanesulfonyl]anilino}-3H-xanthen-9-yl)benzene-1-sulfonate이수소3-[메틸(2-설포나토에틸)아미노]-6-[[3-[[2-(설포나토옥시)에틸]설포닐]페닐]아미노]-9-(2-설포나토페닐)자일륨,나트륨염3-[Methyl(2-sulfoethyl)amino]-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-9-(2-sulfonatophenyl)xanthylium/sodium,(1:x)dihydrogen 3-[methyl(2-sulphonatoethyl)amino]-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-9-(2-sulphonatophenyl)xanthylium , sodium salt
데이터베이스 식별자
- CAS
85567-12-0- PubChem CID
- 56842644
- DTXSID
DTXSID801006130
물성
구조 계산 물성
- 극성 표면적
- 273 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,770
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