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Structure

Reactive red 180

CAS
98114-32-0
Catalog Number
ACM98114320
Category
Main Products
Molecular Weight
933.76
Molecular Formula
C29H19N3Na4O17S5

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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.

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