Acid Red 119 (70210-06-9)

Identification
Name:	Acid Red 119
Synonyms:	C.I. 262085;3-[[Ethyl[4-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]phenyl]amino]methyl]benzenesulfonic acid sodium salt (1:2);Disodium 3-((ethyl(4-((4-((3-sulphonatophenyl)azo)-1-naphthyl)azo)phenyl)amino)methyl)benzenesulphonate;
CAS:	70210-06-9
EINECS:	274-403-7
Molecular Formula:	C31H25N5Na2O6S2
Molecular Weight:	673.66964
InChI:	InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-7-5-9-26(19-22)43(37,38)39)25-15-13-23(14-16-25)32-34-30-17-18-31(29-12-4-3-11-28(29)30)35-33-24-8-6-10-27(20-24)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b34-32+,35-33+;;
Molecular Structure:
Properties
Specification:	The Acid Red 119, with the CAS registry number 70210-06-9, is also known as Benzenesulfonic acid, 3-((4-((4-(N-ethyl-N-(m-sulfobenzyl)amino)phenyl)azo)naphthalene-1-yl)azo)-, disodium salt. It belongs to the product category of Organics. Its EINECS number is 274-403-7. What's more, its IUPAC name and systematic name are the same which is called disodium 3-[[N-ethyl-4-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]anilino]methyl]benzenesulfonate. Physical properties about Acid Red 119 are: (1)ACD/LogP: 6.49; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 11; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 178.18 Å². You can still convert the following datas into molecular structure: (1)Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+].[Na+] (2)InChI: InChI=1S/C31H27N5O6S2.2Na/c1-2-36(21-22-7-5-9-26(19-22)43(37,38)39)25-15-13-23(14-16-25)32-34-30-17-18-31(29-12-4-3-11-28(29)30)35-33-24-8-6-10-27(20-24)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2 (3)InChIKey: GYGVRMLIQVFLPE-UHFFFAOYSA-L
Safety Data

Acid Red 119 (70210-06-9)

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