AC1LA4WR

4-[4-[(4-amino-3-methyl-5-sulfophenyl)-[4-(4-sulfophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate

Also Known As: Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-|4-[4-[(4-amino-3-methyl-5-sulfophenyl)-[4-(4-sulfoanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumylbenzenesulfonate|2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid|4-[[4-[(4-amino-3-methyl-5-sulfophenyl)-[4-[(4-sulfophenyl)amino]phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]azaniumyl]benzenesulfonate|Benzenesulfonic acid, 2-amino-3-methyl-5-[(E)-[4-[(4-sulfophenyl)amino]phenyl][(4E)-4-[(4-sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-

Molecular Formula	C32H27N3O9S3
Molecular Weight	693.09094 g/mol
LogP	4.4
Topological Polar Surface Area	239.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	693.09094
Monoisotopic Mass	693.09094
Heavy Atoms	47
Complexity	1550.0

Chemical Identifiers

CAS Number	7597-19-5
SMILES	CC1=CC(=CC(=C1N)S(=O)(=O)O)C(=C2C=CC(=[NH+]C3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-]
InChIKey	WXESCRGMRLUOGU-UHFFFAOYSA-N