RefChem:117840

disodium;2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate

Also Known As: Benzenesulfonic acid, 2-amino-5-((4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl)-3-methyl-, disodium salt|Benzenesulfonic acid, 2-amino-5-((4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl)-3-methyl-, sodium salt (1:2)|Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, disodium salt|Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, sodium salt (1:2)

Molecular Formula	C21H19N3Na2O9S3
Molecular Weight	599.0079 g/mol
LogP	-4.47111
Topological Polar Surface Area	270.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	3
Exact Mass	599.0079
Monoisotopic Mass	599.0079
Heavy Atoms	38
Complexity	1300.0

Chemical Identifiers

CAS Number	71215-90-2
SMILES	CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=C(C(=N)C(=C2)S(=O)(=O)[O-])C)C3=CC(=C(C=C3)N)S(=O)(=O)O.[Na+].[Na+]
InChIKey	NALGXPAVQYRCSF-UHFFFAOYSA-L