Chem
J-GLOBAL ID:200907003715237830
Nikkaji number:J529.690K
NSC-7974
3-[4′-(6,8-ジスルホ-2-ヒドロキシナフタレン-1-イルアゾ)-1,1′-ビフェニル-4-イルアゾ]-4-アミノ-5-ヒドロキシ-6-(フェニルアゾ)ナフタレン-2,7-ジスルホン酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C38 H27 N7 O14 S4
Molecular formula furigana:
C38-H27-N7-O14-S4
Molecular weight:
933.910
InChI:
InChI=1S/C38H27N7O14S4/c39-34-33-23(18-31(63(57,58)59)37(38(33)47)45-40-24-4-2-1-3-5-24)17-30(62(54,55)56)36(34)44-42-26-13-8-21(9-14-26)20-6-11-25(12-7-20)41-43-35-28(46)15-10-22-16-27(60(48,49)50)19-29(32(22)35)61(51,52)53/h1-19,46-47H,39H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)
InChI key:
NGXZQFXXAIWYDJ-UHFFFAOYSA-N
SMILES:
Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2c(O)ccc3cc(cc(c23)S(=O)(=O)O)S(=O)(=O)O)c(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(=O)(=O)O)S(=O)(=O)O
Systematic name (3):
3-[4′-(6,8-ジスルホ-2-ヒドロキシナフタレン-1-イルアゾ)-1,1′-ビフェニル-4-イルアゾ]-4-アミノ-5-ヒドロキシ-6-(フェニルアゾ)ナフタレン-2,7-ジスルホン酸
4-アミノ-5-ヒドロキシ-3-(2-{4'-[2-(2-ヒドロキシ-6,8-ジスルホナフタレン-1-イル)ジアゼン-1-イル]-[1,1'-ビフェニル]-4-イル}ジアゼン-1-イル)-6-(2-フェニルジアゼン-1-イル)ナフタレン-2,7-ジスルホン酸
4-amino-5-hydroxy-3-(2-{4'-[2-(2-hydroxy-6,8-disulfonaphthalen-1-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl)-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonic acid
Other name (2):
NSC-7974
3-[4′-(6,8-Disulfo-2-hydroxynaphthalen-1-ylazo)-1,1′-biphenyl-4-ylazo]-4-amino-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulfonic acid
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