Chemical ID: 5043812

C(CCCCCCOC(=O)CS)CCCCCOC(=O)CS
Chemical ID:
5043812
Name [?]:
12-(2-sulfanylacetyl)oxydodecyl 2-sulfanylacetate
SMILES [?]:
C(CCCCCCOC(=O)CS)CCCCCOC(=O)CS
InChi [?]:
InChI=1/C16H30O4S2/c17-15(13-21)19-11-9-7-5-3-1-2-4-6-8-10-12-20-16(18)14-22/h21-22H,1-14H2
InChi Info:
AuxInfo=1/0/N:1,2,13,3,14,4,15,5,16,6,17,7,21,11,19,9,20,10,18,8,22,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCOCOCSCCCCCOCOCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s1;s13;s14;s15;s16;s17;s18;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H30O4S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:12.7076
Area:671.575
Solvation:-4.08175
Coulombic:-42.3614
Bond Count [?]
All:21
Single:19
Double:2
Rotors:17
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:350.539
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.41
LogP (Chemaxon):3.29

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Descriptor Annotations

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