기본 정보
- CAS
6638-02-4- 표준 SMILES
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2)cc1- InChIKey
SRRJCDUOSQWHGS-UHFFFAOYSA-N- 분자식
- C37H36N2O6S2
- 평균 분자량
- 668.8 g/mol
- 단동위원소 질량
- 668.20147922
이름 및 식별자
- 우선 이름
- 3-[[Ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate
- IUPAC
- 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
이름 및 동의어
6638-02-4FD&C green No. 1, parentNSC47768NSC-47768ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]ammonium3-[[ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonateCQJ9P67Z94CHEMBL4301164DTXSID5048001SRRJCDUOSQWHGS-UHFFFAOYSA-NEINECS 229-640-0NSC 47768
이름 더 보기
3-((Ethyl(4-((4-(ethyl(3-sulfobenzyl)iminio)cyclohexa-2,5-dien-1-ylidene)(phenyl)methyl)phenyl)amino)methyl)benzenesulfonate3-[(Ethyl{4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonateBenzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner saltHydrogen (ethyl)(4-((4-(ethyl(3-sulphonatobenzyl)amino)phenyl)phenylmethylene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammoniumN-Ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfobenzenemethanaminum inner saltN-Ethyl-N-[4-[[4-ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene-3-sulfobenzenemethanaminium hydroxide inner salt, 9CI
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,360
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
관련 반응
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