Sodium 4-((2,3-dihydrothieno(3,4-b)(1,4)dioxin-2-yl)methoxy)butane-1-sulfonate

HCID 23588691

노트 반응

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기본 정보

CAS: 204444-01-9
표준 SMILES: O=S(=O)([O-])CCCCOCC1COc2cscc2O1.[Na+]
InChIKey: CJNYCXOZPQVMIV-UHFFFAOYSA-M
분자식: C11H15NaO6S2
평균 분자량: 330.4 g/mol
단동위원소 질량: 330.02077448

이름 및 식별자

우선 이름: Sodium 4-((2,3-dihydrothieno(3,4-b)(1,4)dioxin-2-yl)methoxy)butane-1-sulfonate
IUPAC: sodium 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-1-sulfonate
영어명: Sodium 4-((2,3-dihydrothieno[3,4-b][1,4]-dioxin-2-yl)methoxy)butane-1-sulfonate
분자식: C11H15NaO6S2
분자량: 330.35297

이름 및 동의어

204444-01-9Sodium 4-((2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy)butane-1-sulfonateDTXSID40635092Sodium 4-((2,3-dihydrothieno(3,4-b)(1,4)dioxin-2-yl)methoxy)butane-1-sulfonateSodium 4-[(2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy]butane-1-sulfonateRefChem:1098688DTXCID605858434-(2,3-Dihydro-thieno[3,4-b][1,4]dioxin-2-ylmethoxy)-butane-1-sulfonic acid sodium saltsodium;4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-1-sulfonateSodium 4-((2,3-dihydrothieno[3,4-b][1,4]-dioxin-2-yl)methoxy)butane-1-sulfonate1-Butanesulfonic acid, 4-[(2,3-dihydrothieno[3,4-b]-1,4-dioxin-2-yl)methoxy]-, sodium salt (1:1)SCHEMBL1631869

이름 더 보기

Sodium 4- [(2,3-dihydrothieno [3,4-b] -1,4-dioxin-2-yl) methoxy] -1-butanesulfonate

CJNYCXOZPQVMIV-UHFFFAOYSA-MMFCD12022596AKOS016005161sodium,4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-1-sulfonateAS-91810G65672F8984944-(2,3-dihydro-thieno[3,4-b][1,4]dioxin-2-yl-methoxy)-butane-1-sulfonic acid sodium salt

데이터베이스 식별자

CAS: 204444-01-9
PubChem CID: 23588691
DTXSID: DTXSID40635092
Nikkaji: J1.826.539G

물성

구조 계산 물성

극성 표면적: 122 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 372

물리화학적 성질

저장 조건: Inert atmosphere,Room Temperature
InChI: InChI=1S/C11H16O6S2.Na/c12-19(13,14)4-2-1-3-15-5-9-6-16-10-7-18-8-11(10)17-9;/h7-9H,1-6H2,(H,12,13,14);/q;+1/p-1
InChIKey: CJNYCXOZPQVMIV-UHFFFAOYSA-M
SMILES: [Na+].C(S([O-])(=O)=O)CCCOCC1COC2=CSC=C2O1