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Chemical ID: 3968243
Chemical ID:
3968243
Name [?]:
4-[1-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-2,6-ditert-butyl-phenol
SMILES [?]:
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C
InChi [?]:
InChI=1/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,15,28,29,30,33,34,35,18,19,6,8,26,22,7,21,5,9,25,23,10,24,2,12,27,32,17,11,31,16,20/E:(1,2,3,4,5,6,7,8,9,10,11,12)(13,14)(15,16,17,18)(19,20)(21,22,23,24)(25,26)(27,28,29,30)(32,33)(34,35)/rA:35nCCCCCCCCCCOCCCCSCCCSCCCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s9;s12;s12;s12;s7;s16;s17;s17;s17;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s24;s23;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H48O2S2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.6794 |
Area: | 709.489 |
Solvation: | -2.05781 |
Coulombic: | -39.6532 |
Bond Count [?]
All: | 36 |
Single: | 30 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 516.844 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 9.87 |
LogP (Chemaxon): | 11.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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