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Bromothymol Blue
SpectraBase Compound ID EkQbYKVQV5A
InChI InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3
InChIKey NUHCTOLBWMJMLX-UHFFFAOYSA-N
Mol Weight 624.38 g/mol
Molecular Formula C27H28Br2O5S
Exact Mass 622.002421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Am9aLS0pI7c
Name Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide
Alternate Name(s) 2-Bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-isopropyl-3-methylphenol 3,3'-Dibromothymolsulfonphthalein 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hylethyl)phenol) S,S-dioxide Bromothymol Blue Bromothymol blue indicator ph.eur Bromthymol Blue Dibromothymolsulfonphthalein Dibromothymolsulfophthalein Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)- Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis*2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide Thymol, 6,6'-(3H-2, {1-benzoxathiol-3-ylidene)bis[2-bromo-,} S,S-dioxide Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis*2-bromo-, S,S-dioxide 2-Bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol 2-Bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-isopropyl-3-methyl-phenol 2-Bromanyl-4-[3-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-6-propan-2-yl-phenol BRN 0373934 EINECS 200-971-2 NSC 7819
CAS Registry Number 76-59-5
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Formula C27H28Br2O5S
InChI InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3
InChIKey NUHCTOLBWMJMLX-UHFFFAOYSA-N
Molecular Weight 624.384 g/mol
SMILES Oc1c(c(c(C2(c3cc(c(c(c3C)Br)O)C(C)C)c3c(cccc3)S(=O)(=O)O2)cc1C(C)C)C)Br
SPLASH splash10-0006-6974121000-6ad562a98b82e5f175b5
Source of Spectrum W5-37998-27538-27538
Wiley ID 1411638