| SpectraBase Compound ID | HNppLNB5eme |
|---|---|
| InChI | InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3 |
| InChIKey | FRPHFZCDPYBUAU-UHFFFAOYSA-N |
| Mol Weight | 698.01 g/mol |
| Molecular Formula | C21H14Br4O5S |
| Exact Mass | 693.729547 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GlrE12hxzba |
|---|---|
| Name | Bromocresol green |
| CAS Registry Number | 76-60-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H14Br4O5S |
| InChI | InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3 |
| InChIKey | FRPHFZCDPYBUAU-UHFFFAOYSA-N |
| Molecular Weight | 698.014 g/mol |
| SMILES | Oc1c(cc(C2(c3c(c(c(c(c3)Br)O)Br)C)c3c(cccc3)S(O2)(=O)=O)c(c1Br)C)Br |
| SPLASH | splash10-03ea-9751101000-ad1e3956ab183bc4c685 |
| Source of Spectrum | NP-16-2327-0 |
| Synonyms | 3',3'',5',5''-Tetrabrom-m-cresolsulfonephthalein 3',3'',5',5''-Tetrabromo-m-cresolsulfonephthalein Baciilus calmette guerin vaccine Bacillus calmette-guerin BCG Bromcresol green Bromocresol blue m-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxide Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide Tetrabromo-m-cresolphthalein sulfone Tetrabromo-m-cresolsulfonphthalein 2,6-Dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol 2,6-Dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-phenol 4-[3-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)-3-methyl-phenol |
| Wiley ID | 1113313 |