TRIS(OCTADEC-9-ENYLAMMONIUM) (TRISULFONATOPHTHALOCYANINATO)COPPER(II)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H16N8O9S3.3C18H37N.Cu
Molecular Weight	1618.738
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of TRIS(OCTADEC-9-ENYLAMMONIUM) (TRISULFONATOPHTHALOCYANINATO)COPPER(II)

Structure Search

SMILES

[Cu++].CCCCCCCC\C=C/CCCCCCCCN.CCCCCCCC\C=C/CCCCCCCCN.CCCCCCCC\C=C/CCCCCCCCN.OS(=O)(=O)C1=CC2=C3[N-]C(N=C4N=C(N=C5[N-]C(=NC6=NC(=N3)C7=C6C=CC(=C7)S(O)(=O)=O)C8=C5C=CC=C8)C9=C4C=CC(=C9)S(O)(=O)=O)=C2C=C1

InChI

InChIKey=HZOZQGDFZUAANE-HJLYZDAFSA-N

InChI=1S/C32H16N8O9S3.3C18H37N.Cu/c41-50(42,43)14-5-8-19-22(11-14)30-36-26-18-4-2-1-3-17(18)25(33-26)34-27-20-9-6-15(51(44,45)46)12-23(20)31(38-27)40-32-24-13-16(52(47,48)49)7-10-21(24)29(39-32)35-28(19)37-30;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h1-13H,(H3-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49);3*9-10H,2-8,11-19H2,1H3;/q-2;;;;+2/b;3*10-9-;

HIDE SMILES / InChI

Molecular Formula	C18H37N
Molecular Weight	267.4931
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	Cu
Molecular Weight	63.546
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C32H14N8O9S3
Molecular Weight	750.697
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:14:28 GMT 2023` Edited by `admin` on `Sat Dec 16 14:14:28 GMT 2023`
Record UNII	3W8A3K127E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIS(OCTADEC-9-ENYLAMMONIUM) (TRISULFONATOPHTHALOCYANINATO)COPPER(II)

Common Name

English

PIGMENTBLAU 1755

Brand Name

English

CUPRATE(3-), (29H,31H-PHTHALOCYANINE-C,C,C-TRISULFONATO(5-)-.KAPPA.N29,.KAPPA.N30,.KAPPA.N31,.KAPPA.N32)-, HYDROGEN, COMPD. WITH (9Z)-9-OCTADECEN-1-AMINE (1:3:3)

Systematic Name

English

Code System Code Type Description

FDA UNII

3W8A3K127E