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General information

Inventory

EC number:
249-352-9
EC name:
Disodium [[4-[bis[4-[(sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate
CAS number:
28983-56-4

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Reference substance information

IUPAC name:
Disodium [[4-[bis[4-[(sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate
Synonyms
Names:
Benzenesulfonic acid, [[4-[bis[4-[(sulfophenyl) amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene ]amino]-, disodium salt
Benzenesulfonic acid, [[4-[bis[4-[(sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-, disodium salt

CAS information

CAS number:
28983-56-4

Molecular and structural information

Molecular formula:
C37H29N3O9S3.2Na
Molecular weight:
798.792
SMILES notation:
[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1Nc2ccc(cc2)C(=C3C=CC(=Nc4ccccc4S(=O)(=O)[O-])C=C3)c5ccc(Nc6ccccc6S(=O)(=O)[O-])cc5
InChl:
InChI=1/C37H29N3O9S3.2Na/c41-50(42,43)34-10-4-1-7-31(34)38-28-19-13-25(14-20-28)37(26-15-21-29(22-16-26)39-32-8-2-5-11-35(32)51(44,45)46)27-17-23-30(24-18-27)40-33-9-3-6-12-36(33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-3
Structural formula:
Chemical structure