TRISODIUM 3-HYDROXY-4-((2-METHOXY-5-METHYL-4-SULFOPHENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H13N2O11S3.3Na
Molecular Weight	598.467
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TRISODIUM 3-HYDROXY-4-((2-METHOXY-5-METHYL-4-SULFOPHENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)\N=N\C2=C(O)C(=CC3=CC(=CC=C23)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=ZXYKASULCMXCIO-HVARVCSCSA-K

InChI=1S/C18H16N2O11S3.3Na/c1-9-5-13(14(31-2)8-15(9)33(25,26)27)19-20-17-12-4-3-11(32(22,23)24)6-10(12)7-16(18(17)21)34(28,29)30;;;/h3-8,21H,1-2H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3/b20-19+;;;

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	C18H13N2O11S3
Molecular Weight	529.498
Charge	-3
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:20:53 GMT 2023` Edited by `admin` on `Sat Dec 16 18:20:53 GMT 2023`
Record UNII	TSH2LG9NDE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRISODIUM 3-HYDROXY-4-((2-METHOXY-5-METHYL-4-SULFOPHENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Systematic Name

English

3-HYDROXY-4-((2-METHOXY-5-METHYL-4-SULFOPHENYL)AZO)-2,7-NAPHTHALENEDISULFONIC ACID TRISODIUM SALT

Common Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-4-(2-(2-METHOXY-5-METHYL-4-SULFOPHENYL)DIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

Code System Code Type Description

FDA UNII

TSH2LG9NDE

Created by admin on Sat Dec 16 18:20:53 GMT 2023 , Edited by admin on Sat Dec 16 18:20:53 GMT 2023

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CAS

61660-30-8

Created by admin on Sat Dec 16 18:20:53 GMT 2023 , Edited by admin on Sat Dec 16 18:20:53 GMT 2023

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