5-bromochroman-3-carboxylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H24N8O17S3
Molecular Weight	912.793
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of 5-bromochroman-3-carboxylic acid

Structure Search

SMILES

OC1=CC(O)=C(\N=N\C2=CC=C(\N=N\C3=CC(=C4C=CC(\N=N\C5=CC=C(C=C5S(O)(=O)=O)\N=N\C6=C(O)C=C(O)C=C6O)=C(O)C4=C3O)S(O)(=O)=O)C(=C2)S(O)(=O)=O)C(O)=C1

InChI

InChIKey=IOTDIXYMZBTGTJ-JZDFHDGPSA-N

InChI=1S/C34H24N8O17S3/c43-16-9-23(45)31(24(46)10-16)41-35-14-1-4-19(28(7-14)61(54,55)56)37-39-21-6-3-18-27(60(51,52)53)13-22(34(50)30(18)33(21)49)40-38-20-5-2-15(8-29(20)62(57,58)59)36-42-32-25(47)11-17(44)12-26(32)48/h1-13,43-50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)/b39-37+,40-38+,41-35+,42-36+

HIDE SMILES / InChI

Molecular Formula	C34H24N8O17S3
Molecular Weight	912.793
Charge	0
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 `Mon Mar 31 18:57:52 GMT 2025` Edited by `admin` on `Mon Mar 31 18:57:52 GMT 2025`
Record UNII	VMT9AG9FNK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-bromochroman-3-carboxylic acid

Common Name

English

Dihydroxy-3,6-bis(2-sulfo-4-((2,4,6-trihydroxyphenyl)azo)phenyl)azo)-1-naphthalenesulfonic acid, 4,5-

Preferred Name

English

1-Naphthalenesulfonic acid, 4,5-dihydroxy-3,6-bis[2-[2-sulfo-4-[2-(2,4,6-trihydroxyphenyl)diazenyl]phenyl]diazenyl]-

Systematic Name

English

4,5-Dihydroxy-3,6-bis[2-[2-sulfo-4-[2-(2,4,6-trihydroxyphenyl)diazenyl]phenyl]diazenyl]-1-naphthalenesulfonic acid

Systematic Name

English

1-Naphthalenesulfonic acid, 4,5-dihydroxy-3,6-bis[[2-sulfo-4-[(2,4,6-trihydroxyphenyl)azo]phenyl]azo]-

Systematic Name

English

3,6-bis[[4-[2-(2,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfophenyl]hydrazinylidene]-4,5-dioxonaphthalene-1-sulfonicacid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50922223

Created by admin on Mon Mar 31 18:57:52 GMT 2025 , Edited by admin on Mon Mar 31 18:57:52 GMT 2025

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FDA UNII

VMT9AG9FNK

Created by admin on Mon Mar 31 18:57:52 GMT 2025 , Edited by admin on Mon Mar 31 18:57:52 GMT 2025

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CAS

116978-87-1

Created by admin on Mon Mar 31 18:57:52 GMT 2025 , Edited by admin on Mon Mar 31 18:57:52 GMT 2025

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PUBCHEM

5487915

Created by admin on Mon Mar 31 18:57:52 GMT 2025 , Edited by admin on Mon Mar 31 18:57:52 GMT 2025

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