[4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
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![[4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e6a12aece8444d238b91d09a99eff5d0.png "[4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate")
[4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
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CAS No:
60904-21-4
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Formula:
C27H31O8PS
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Chemical Name:
[4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
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Synonyms:
thymol blue monophosphate;60904-21-4;Thymol blue monophosphate;DTXSID20976374;[4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate;4-{3-[4-Hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,1-dioxo-1,3-dihydro-2,1lambda~6~-benzoxathiol-3-yl}-5-methyl-2-(propan-2-yl)phenyl dihydrogen phosphate;Phenol, 4-(3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3H-2,1-benzoxathiol-3-yl)-5-methyl-2-(1-methylethyl)-, 1-(dihydrogen phosphate), S,S-dioxide
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CAS No:
[4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate Basic Attributes
546.6 g/mol
546.14772611 g/mol
Computed Properties
Molecular Weight:546.6
XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:546.14772611
Monoisotopic Mass:546.14772611
Topological Polar Surface Area:139
Heavy Atom Count:37
Complexity:958
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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