PIGMENT GREEN 1

/static/temp/default.svg Search structure
Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID901014564

Structure

InChI Key YRKQULQQWVSAFQ-UHFFFAOYSA-K
Smiles [O-][Mo](=O)=O.[O-]P([O-])(=O)OO[W]([O-])(=O)=O.CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC.CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC.CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC.CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC
InChI
InChI=1S/4C27H33N2.Mo.H3O5P.6O.W/c4*1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;;1-5-6(2,3)4;;;;;;;/h4*9-21H,5-8H2,1-4H3;;1H,(H2,2,3,4);;;;;;;/q4*+1;;;;;;;2*-1;+1/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C108H132MoN8O11PW
Molecular Weight 2029.83
AlogP 20.21
Hydrogen Bond Acceptor 11.0
Number of Rotational Bond 29.0
Polar Surface Area 291.48
Heavy Atoms 130.0

Cross References

Resources Reference
CAS NUMBER 1325-75-3
NORMAN SUSDAT
CONTENTS