methyl blue free acid (Q27159656)

Methyl Blue (English)

9 October 2016

chemical formula

C₃₇H₂₉N₃O₉S₃

1 reference

Methyl Blue (English)

9 October 2016

canonical SMILES

C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)O

1 reference

Methyl Blue (English)

InChI=1S/C37H29N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49)

9 October 2016

Identifiers

InChI

1 reference

Methyl Blue (English)

RFKJHQXSLBUONF-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

Methyl Blue (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

methyl blue free acid (English)

9 October 2016

1 reference

4,4'-[({4-[(4-Sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene}methylene)bis(4,1-phenyleneimino)]dibenzenesulfonic acid (English)

9 October 2016

2 references

Methyl Blue (English)

matched by identifier from

9 October 2016

InChIKey

RFKJHQXSLBUONF-UHFFFAOYSA-N

455837

1 reference

matched by identifier from

InChIKey

RFKJHQXSLBUONF-UHFFFAOYSA-N

Reaxys registry number

27536483

1 reference

methyl blue free acid (English)

9 October 2016

ChEBI ID

87477

mapping relation type

1 reference

methyl blue free acid (English)