Brilliant orange 3R

HCID 30082CAS 12225-88-6

基本情報

標準SMILES: CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c2c1.[Na+].[Na+]
InChIKey: DHHGSXPASZBLGC-UHFFFAOYSA-L
分子式: C20H17N3Na2O11S3
平均分子量: 617.5 g/mol
単同位体質量: 616.98205992

概要

Remazole orange-3R is an azo compound having a ({[(2-sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl moiety attached at position 2 of a multi-substituted naphthalene. It has a role as a dye. It is a sulfone, an organic sodium salt and a monoazo compound. It contains a remazole orange-3R(2-).

名称と識別子

優先名称: Brilliant orange 3R
IUPAC: disodium;6-acetamido-4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate

名称と別名

20262-58-2Brilliant orange 3R12225-88-6remazole orange-3RCHEBI:53730disodium;6-acetamido-4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt6-acetamido-4-hydroxy-3-4-2-(sulphonatooxy)ethylsulphonylphenylazonaphthalene-2-sulphonate (sodium salt)MFCD00013281Remazol Brilliant Orange 3R

名称をさらに表示

Remazol Orange GC.I. REACTIVE ORANGE 16EINECS 243-653-9C.I.Reactive Orange 7C.I.Reactive Orange 16Epitope ID:116217EC 243-653-9SCHEMBL523942

データベース識別子

CAS: 12225-88-6、20262-58-2
PubChem CID: 30082
DTXSID: DTXSID5066586
ChEBI: CHEBI:53730
EC Number: 602-406-9

物性

構造計算による物性

極性表面積: 257 Å²
水素結合供与体数: 2
水素結合受容体数: 13
回転可能結合数: 7
重原子数: 39
形式電荷: 0
複雑度: 1,120