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BCP

Catalog Number DYE-INT-0215
CAS Number 62625-30-3
Structure
Synonyms 3-(3-Methyl-4-sodiooxy-5-bromophenyl)-3-(3-methyl-4-hydroxy-5-bromophenyl)-3H-2,1-benzoxathiole 1,1-dioxide
IUPAC Name sodium;2-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Molecular Weight 564.22 g/mol
Molecular Formula C21H17Br2NaO5S
InChI InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1/b19-14+
InChI Key KVSJYIXUWNOWBD-UGAWPWHASA-M
Melting Point 255 °C
Purity 95%
Density 0.99 g/ml
Appearance Powder
Isomeric SMILES CC1=CC(=CC(=C1O)Br)/C(=C\2/C=C(C(=O)C(=C2)Br)C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+]

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