remazole orange-3R(2-) (Q27124181)

6-Acetamido-4-hydroxy-3-[(E)-(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-2-naphthalenesulfonate (English)

6 October 2016

chemical formula

C₂₀H₁₇N₃O₁₁S₃²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=NC=1C=CC2=CC(=C(C(=C2C1)[O-])N=NC3=CC=C(C=C3)S(CCOS(O)(=O)=O)(=O)=O)S(O)(=O)=O)[O-]

1 reference

remazole orange-3R(2-) (English)

InChI=1S/C20H19N3O11S3/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)/p-2/b23-22+

6 October 2016

isomeric SMILES

CC([O-])=Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c2c1

0 references

Identifiers

InChI

1 reference

remazole orange-3R(2-) (English)

INOIOAWTVPHTCJ-GHVJWSGMSA-L

6 October 2016

InChIKey

2 references

remazole orange-3R(2-) (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-Acetamido-4-hydroxy-3-[(E)-(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-2-naphthalenesulfonate (English)

6 October 2016

ChEBI ID

53733

mapping relation type

2 references

remazole orange-3R(2-) (English)