3,3-bis(3-bromo-4-hydroxyphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione



Compound number:
MolPort-003-930-111
CAS number: 2800-80-8
IUPAC:
3,3-bis(3-bromo-4-hydroxyphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione
IUPAC traditional:
3,3-bis(3-bromo-4-hydroxyphenyl)-2,1λ⁶-benzoxathiole-1,1-dione
SMILES:
Oc1ccc(cc1Br)C1(OS(=O)(=O)c2ccccc12)c1ccc(O)c(Br)c1
InChI key:
OYCLSQDXZMROJK-UHFFFAOYSA-N
Molecular formula:
C19H12Br2O5S
Molecular weight: 512.17
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-003-930-111
CAS number: 2800-80-8

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004262362
MFCD00023014
"2,3-Dibromophenol"
3,3-bis(3-bromo-4-hydroxyphenyl)benzo[c]1,2-oxathiolene-1,1-dione
Bromophenol Red
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-

InChI
InChI: 1S/C19H12Br2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
InChI key: OYCLSQDXZMROJK-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C19H12Br2O5S
Molecular weight: 512.17

Other

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