DISODIUM 3,3'-(CARBONYLBIS(IMINO(5-METHOXY-2-METHYL-4,1-PHENYLENE)AZO))BIS(BENZENESULFONATE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H26N6O9S2.2Na
Molecular Weight	712.661
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 3,3'-(CARBONYLBIS(IMINO(5-METHOXY-2-METHYL-4,1-PHENYLENE)AZO))BIS(BENZENESULFONATE)

Structure Search

SMILES

[Na+].[Na+].COC1=C(NC(=O)NC2=C(OC)C=C(\N=N\C3=CC=CC(=C3)S([O-])(=O)=O)C(C)=C2)C=C(C)C(=C1)\N=N\C4=CC(=CC=C4)S([O-])(=O)=O

InChI

InChIKey=ZIHNAPIDRXJQKX-DCQXEBMNSA-L

InChI=1S/C29H28N6O9S2.2Na/c1-17-11-25(27(43-3)15-23(17)34-32-19-7-5-9-21(13-19)45(37,38)39)30-29(36)31-26-12-18(2)24(16-28(26)44-4)35-33-20-8-6-10-22(14-20)46(40,41)42;;/h5-16H,1-4H3,(H2,30,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b34-32+,35-33+;;

HIDE SMILES / InChI

Molecular Formula	C29H26N6O9S2
Molecular Weight	666.682
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:03:13 GMT 2023` Edited by `admin` on `Sat Dec 16 18:03:13 GMT 2023`
Record UNII	M1V61BWZ72
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM 3,3'-(CARBONYLBIS(IMINO(5-METHOXY-2-METHYL-4,1-PHENYLENE)AZO))BIS(BENZENESULFONATE)

Systematic Name

English

BENZENESULFONIC ACID, 3,3'-(CARBONYLBIS(IMINO(5-METHOXY-2-METHYL-4,1-PHENYLENE)AZO))BIS-, DISODIUM SALT

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID8070752

Created by admin on Sat Dec 16 18:03:13 GMT 2023 , Edited by admin on Sat Dec 16 18:03:13 GMT 2023

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CAS

67875-16-5

Created by admin on Sat Dec 16 18:03:13 GMT 2023 , Edited by admin on Sat Dec 16 18:03:13 GMT 2023

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FDA UNII

M1V61BWZ72

Created by admin on Sat Dec 16 18:03:13 GMT 2023 , Edited by admin on Sat Dec 16 18:03:13 GMT 2023

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ECHA (EC/EINECS)

267-530-4

Created by admin on Sat Dec 16 18:03:13 GMT 2023 , Edited by admin on Sat Dec 16 18:03:13 GMT 2023

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