EINECS 287-731-0

trisodium;5-acetamido-4-hydroxy-3-[[8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate

Also Known As: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-((8-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)azo)-, sodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-(8-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)diazenyl)-, sodium salt (1:?)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy- 3-[[8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl ]azo]-, sodium salt|5-(Acetamido)-4-hydroxy-3-((8-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic acid, sodium salt|5-(acetamido)-4-hydroxy-3-[[8-[[2-(sulphooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-2,7-disulphonic acid, sodium salt|trisodium,(3Z)-5-acetamido-4-oxo-3-[[8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonate

Molecular Formula	C24H18N3Na3O14S4
Molecular Weight	768.93646 g/mol
LogP	-6.8569
Topological Polar Surface Area	323.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	16
Rotatable Bonds	7
Exact Mass	768.93646
Monoisotopic Mass	768.93646
Heavy Atoms	48
Complexity	1500.0

Chemical Identifiers

CAS Number	85567-18-6
SMILES	CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC4=C(C=CC=C4S(=O)(=O)CCOS(=O)(=O)[O-])C=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	LFGFNDGXSMOXBV-UHFFFAOYSA-K