Anthraquinone Violet

5-methyl-2-[[5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid

Also Known As: Anthraquinone Violet|Alizarin violet 3R|AC1L1XFH|C.I. Acid Violet 34|NCI60_002488|C.I. 61710|5-methyl-2-[[5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid|m-Toluenesulfonic acid, 6,6'-(1,5-anthraquinonylenediimino)di-|5-methyl-2-[[5-(4-methyl-2-sulfo-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid|2,2'-(9,10-Dihydro-9,10-dioxo-1,5-anthracenediyl)-diimino)bis-(5-methyl-benzenesulfonic acid|Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis(imino)]bis[5-methyl-, disodium salt|Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)diimino]bis[5-methyl-

Molecular Formula	C28H22N2O8S2
Molecular Weight	578.0818 g/mol
LogP	5.06
Topological Polar Surface Area	166.94 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	578.0818
Heavy Atoms	40
Complexity	1823.5

Chemical Identifiers

CAS Number	117-04-4
SMILES	CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O