Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)
기본 정보
- CAS
29637-52-3- 표준 SMILES
NC(=O)CCN(CCO)c1nc(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(Nc5ccc(S(=O)(=O)[O-])cc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+].[Na+].[Na+]- InChIKey
BHMCWKHQTHVFST-MBCFVHIPSA-J- 분자식
- C42H42N14Na4O16S4
- 평균 분자량
- 1,219.1 g/mol
- 단동위원소 질량
- 1,218.1376831
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
- 영어명
- tetrasodium 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
- 분자식
- C42H42N14Na4O16S4
- 분자량
- 1219.08616
이름 및 동의어
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)RefChem:56396929637-52-3Tetrasodium 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino))benzenesulfonate7H6IP22N912,2'-Stilbenedisulfonic acid, 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium saltBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, tetrasodium saltTetrasodium 4,4'-bis((4-((2-carbamoylethyl)(2-hydroxyethyl)amino)-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonate
물성
구조 계산 물성
- 극성 표면적
- 521 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 28
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 80
- 형식 전하
- 0
- 복잡도
- 2,150
물리화학적 성질
- EPA
- 4 · Tetrasodium 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-2,2'-stilbenedisulfonate (29637-52-3)
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 InformationBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4): ACTIVE
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