1,1'-(Isopropylidenedi-p-phenylene)bis[2-[[5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonate]

CAS

83006-51-3

Catalog Number

ACM83006513

Category

Other Products

Molecular Weight

1090.145949 [g/mol]

Molecular Formula

C47H42N10NaO12S4+

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 280-101-6, 1,1-(Isopropylidenedi-p-phenylene) bis(2-((5-amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate), sodium salt, 83006-51-3, Benzenesulfonic acid, 2-((5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-, 1,1-((1-methylethylidene)di-4,1-phenylene) ester, sodium salt

IUPAC Name

sodium;3-[(4E)-5-imino-4-[[2-[4-[2-[4-[2-[(2Z)-2-[5-imino-3-methyl-1-(3-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]phenyl]sulfonyloxyphenyl]propan-2-yl]phenoxy]sulfonylphenyl]hydrazinylidene]-3-methylpyrazol-1-yl]benzenesulfonic acid

Canonical SMILES

CC1=NN(C(=N)C1=NNC2=CC=CC=C2S(=O)(=O)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5NN=C6C(=NN(C6=N)C7=CC(=CC=C7)S(=O)(=O)O)C)C8=CC(=CC=C8)S(=O)(=O)O.[Na+]

InChI Key

MLTJKQMHHWEGQG-ZPMYMZLWSA-N

EC Number

280-101-6

Exact Mass

1089.18000

H-Bond Acceptor

H-Bond Donor