5-tert-Butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid

SpectraBase Compound ID	6lGrEAkaosg
InChI	InChI=1S/C28H38O6S/c1-25(2,3)15-11-17(23(29)30)21(19(13-15)27(7,8)33)35-22-18(24(31)32)12-16(26(4,5)6)14-20(22)28(9,10)34/h11-14,33-34H,1-10H3,(H,29,30)(H,31,32)
InChIKey	COJWMOUZPKSLAC-UHFFFAOYSA-N Google Search
Mol Weight	502.7 g/mol
Molecular Formula	C28H38O6S
Exact Mass	502.23891 g/mol

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SpectraBase Spectrum ID	6jv67j2TDrg
Name	5-tert-Butyl-2-[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)benzoic acid
Alternate Name(s)	5-tert-Butyl-2-[4-tert-butyl-2-carboxy-6-(2-oxidanylpropan-2-yl)phenyl]sulfanyl-3-(2-oxidanylpropan-2-yl)benzoic acid 5-tert-Butyl-2-[[4-tert-butyl-2-carboxy-6-(1-hydroxy-1-methyl-ethyl)phenyl]thio]-3-(1-hydroxy-1-methyl-ethyl)benzoic acid 5-tert-Butyl-2-[[4-tert-butyl-2-carboxy-6-(2-hydroxypropan-2-yl)phenyl]thio]-3-(2-hydroxypropan-2-yl)benzoic acid
CAS Registry Number	62558-13-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H38O6S
InChI	InChI=1S/C28H38O6S/c1-25(2,3)15-11-17(23(29)30)21(19(13-15)27(7,8)33)35-22-18(24(31)32)12-16(26(4,5)6)14-20(22)28(9,10)34/h11-14,33-34H,1-10H3,(H,29,30)(H,31,32)
InChIKey	COJWMOUZPKSLAC-UHFFFAOYSA-N
Molecular Weight	502.666 g/mol
SMILES	OC(c1cc(cc(c1Sc1c(C(C)(C)O)cc(cc1C(=O)O)C(C)(C)C)C(C)(C)O)C(C)(C)C)=O
SPLASH	splash10-0udi-0000290000-8586ebb02690e5c5ce63
Source of Spectrum	C-103-120-0
Wiley ID	1399230