Benzenesulfonic acid, 2,2′-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl-, sodium salt (1:2)

Benzenesulfonic acid, 2,2′-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl-, sodium salt (1:2)



Chemical identification
CAS identifier4403-90-1
Pubchem identifier20431
DSSTox identifierDTXSID2024903
IUPAC namedisodium 5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
StructureBenzenesulfonic acid, 2,2′-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl-, sodium salt (1:2)

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCc1ccc(c(c1)S(=O)(=O)[O-])Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1S(=O)(=O)[O-])C.[Na+].[Na+]
InChIInChI=1S/C28H22N2O8S2.2Na/c1-15-7-9-19(23(13-15)39(33,34)35)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40(36,37)38)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32;;/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2
InChIKeyFPAYXBWMYIMERV-UHFFFAOYSA-L

Chemical classification
KingdomOrganic compounds
SuperclassBenzenoids
ClassAnthracenes
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