5,5'-(Carbonylbis(imino-p-phenyleneazo))bis(8-((4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, sodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C45H32N10O13S4.Na
Molecular Weight	1072.045
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	1

SHOW SMILES / InChI

Structure of 5,5'-(Carbonylbis(imino-p-phenyleneazo))bis(8-((4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, sodium salt

Structure Search

SMILES

[Na+].OS(=O)(=O)C1=CC=C(C=C1)\N=N\C2=CC=C(\N=N\C3=CC=C(NC(=O)NC4=CC=C(C=C4)\N=N\C5=CC=C(\N=N\C6=CC=C(C=C6)S(O)(=O)=O)C7=C5C=CC(=C7)S(O)(=O)=O)C=C3)C8=C2C=C(C=C8)S(O)(=O)=O

InChI

InChIKey=APKGJPYVSUBKFE-HLJJEFQXSA-N

InChI=1S/C45H32N10O13S4.Na/c56-45(46-27-1-5-29(6-2-27)48-52-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-50-31-9-13-33(14-10-31)69(57,58)59)47-28-3-7-30(8-4-28)49-53-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-51-32-11-15-34(16-12-32)70(60,61)62;/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);/q;+1/b52-48+,53-49+,54-50+,55-51+;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C45H31N10O13S4
Molecular Weight	1048.047
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	4
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:04:06 GMT 2023` Edited by `admin` on `Sat Dec 16 12:04:06 GMT 2023`
Record UNII	S6VMP8JQ8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,5'-(Carbonylbis(imino-p-phenyleneazo))bis(8-((4-sulphophenyl)azo)naphthalene-2-sulphonic) acid, sodium salt

Common Name

English

2-Naphthalenesulfonic acid, 5,5′-[carbonylbis(imino-4,1-phenyleneazo)]bis[8-[(4-sulfophenyl)azo]-, sodium salt

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

301-242-2