Reactive red 180

CAS

98114-32-0

Catalog Number

ACM98114320

Category

Main Products

Molecular Weight

933.76

Molecular Formula

C₂₉H₁₉N₃Na₄O₁₇S₅

MSDS COA Spec Sheet

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Specification

Synonyms

Brilliant Red F 3B-SF; Reactive Red 180; C.I. Reactive Red 180; Brilliant Red F 3B; 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, tetrasodium salt; C.I. 181055;

IUPAC Name

methyl(2R)-5-methyl-2-[(2,2,2-triphenylacetyl)amino]hex-4-enoate

Canonical SMILES

CC(=CCC(C(=O)OC)NC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI Key

KQVXEAROFSIQSZ-RUZDIDTESA-N

Exact Mass

867.95300

What is the molecular formula of Reactive Red 180?

The molecular formula of Reactive Red 180 is C29H19N3Na4O17S5.

What are the synonyms of Reactive Red 180?

The synonyms of Reactive Red 180 are Reactive Red 180, 98114-32-0, 85586-40-9, EINECS 287-842-4, and C.I. Reactive Red 180.

What is the IUPAC name of Reactive Red 180?

The IUPAC name of Reactive Red 180 is tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate.

What is the InChI of Reactive Red 180?

The InChI of Reactive Red 180 is InChI=1S/C29H23N3O17S5.4Na/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48;;;;/h1-9,12-15,33H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4.

What is the InChIKey of Reactive Red 180?

The InChIKey of Reactive Red 180 is XWPJKMFRMGRVEU-UHFFFAOYSA-J.

What is the canonical SMILES of Reactive Red 180?

The canonical SMILES of Reactive Red 180 is C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].

What is the molecular weight of Reactive Red 180?

The molecular weight of Reactive Red 180 is 933.8 g/mol.

What is the CAS number of Reactive Red 180?

The CAS number of Reactive Red 180 is 85586-40-9.

What is the European Community (EC) number of Reactive Red 180?

The European Community (EC) number of Reactive Red 180 is 287-842-4.

What are the computed properties of Reactive Red 180?

The computed properties of Reactive Red 180 include the molecular weight of 933.8 g/mol.