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Reference substances

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IUPAC name:
6-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]-3-[(E)-2-[4-({4-[(E)-2-{7-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]-1-hydroxy-3-sulfonaphthalen-2-yl}diazen-1-yl]phenyl}amino)-3-sulfophenyl]diazen-1-yl]-4-hydroxynaphthalene-2-sulfonic acid

Inventory

EC number:
278-387-2
EC name:
6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulpho-2-naphthyl]azo]phenyl]amino]-3-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
CAS number:
76186-07-7
CAS number:
76186-07-7
Synonyms
Names:
6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulpho-2-naphthyl]azo]phenyl]amino]-3-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

Molecular and structural information

Molecular formula:
C44H35N13O11S3
Molecular weight:
1 018.038
SMILES notation:
c1cc(ccc1Nc2ccc(cc2S(=O)(=O)O)/N=N/c3c(cc4ccc(cc4c3O)/N=N/c5ccc(cc5N)N)S(=O)(=O)O)/N=N/c6c(cc7ccc(cc7c6O)/N=N/c8ccc(cc8N)N)S(=O)(=O)O
InChl:
1S/C44H35N13O11S3/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)/b54-51+,55-52+,56-50+,57-53+
Structural formula:
Chemical structure

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