Registration Dossier

Reference substances

Reference substances

Currently viewing:
IUPAC name:
sodium 1-amino-4-{[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Inventory

EC number:
276-889-6
EC name:
Sodium 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate
CAS number:
72828-82-1
CAS number:
72828-82-1
Synonyms
Names:
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[ 4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl ]amino]-9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-, monosodium salt

Molecular and structural information

Molecular formula:
C29H25N3O7S2.Na
Molecular weight:
613.636
SMILES notation:
[Na+].CN(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1)S(=O)(=O)c5ccc(C)cc5
InChl:
InChI=1/C29H25N3O7S2.Na/c1-17-7-13-20(14-8-17)40(35,36)32(2)16-18-9-11-19(12-10-18)31-23-15-24(41(37,38)39)27(30)26-25(23)28(33)21-5-3-4-6-22(21)29(26)34;/h3-15,31H,16,30H2,1-2H3,(H,37,38,39);/q;+1/p-1
Structural formula:
Chemical structure

Related substances