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Reference substances

Currently viewing:
IUPAC name:
disodium 7-benzamido-4-hydroxy-3-[(1E)-2-{4-[(1E)-2-(4-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl]naphthalene-2-sulfonate

Inventory

EC number:
220-028-9
EC name:
Disodium 7-benzamido-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
CAS number:
2610-11-9
CAS number:
2610-11-9
Synonyms
Names:
2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy- 3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt
2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt
Identifier:
IUPAC name
disodium 7-benzamido-4-hydroxy-3-[(E)-2-{4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl]naphthalene-2-sulfonate
Identifier:
IUPAC name
disodium 7-(benzoylamino)-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate
Identifier:
IUPAC name
disodium 7-benzamido-4-hydroxy-3-[(E)-2-{4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl]naphthalene-2-sulfonate
Identifier:
other: InChl
1S/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,33H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-31?,34-27-;;
Identifier:
other: SMILES notation
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+]
Identifier:
other: SMILES notation
[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O
sodium7-benzamido-4-hydroxy-3-((E)-(4-((E)-(4-sulfonatophenyl)diazenyl)phenyl)diazenyl)naphthalene-2-sulfonate

Molecular and structural information

Molecular formula:
C29H21N5O8S2.2Na
Molecular weight:
ca. 675.6
SMILES notation:
[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S([O-])(=O)=O
InChl:
InChI=1/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
Structural formula:
Chemical structure

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