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Reference, SMILES, CAS, Chemical name...

Amb1004561

Duplicate ID
Molecule Name 4-((E)-{[2-(octadecylthio)ethyl]imino}methyl)benzene-1,3-diol
SmilesCCCCCCCCCCCCCCCCCCSCC/N=C/c1ccc(cc1O)O
Cas Number
InchiKeyTXQJBARSXVYLGF-ZZIIXHQDSA-N
InChi InChI=1S/C27H47NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-22-20-28-24-25-18-19-26(29)23-27(25)30/h18-19,23-24,29-30H,2-17,20-22H2,1H3/b28-24+
Formula C27H47NO2S
Molecular weight 449.733
Rings 1
logP 8.5114
PSA 78.12
MR 142.87
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