Cresol red sodium

C21H17NaO5SCAS 62625-29-0404.41 g/mol

OHOSOOO−Na+
PhenolSulfonate ester

Properties

Molecular formula
C21H17NaO5S
Molar mass
404.41 g/mol
Exact mass
404.0694 Da
logP
3.34Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
62625-29-0
SMILES
Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc23)ccc1[O-].[Na+]
InChIKey
FUFXZLCPLRDVCW-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O5S.Na/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21;/h3-12,22-23H,1-2H3;

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Names and synonyms

4 names
  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-, sodium salt (1:1)
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-, S,S-dioxide, monosodium salt
  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-, monosodium salt
  • 3H-2,1-Benzoxathiole, phenol deriv.

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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