97N

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Summary

Name:(2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate
Formula:C19 H36 O4
Formal charge:0
Molecular weight:328.487 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate
OpenEye OEToolkits1.9.2[(2S)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-9-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
InChIInChI1.03InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1
InChIKeyInChI1.03KVYUBFKSKZWZSV-ZEVQVBBLSA-N
SMILES_CANONICALCACTVS3.385CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)CO
SMILESCACTVS3.385CCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O
SMILESOpenEye OEToolkits1.9.2CCCCCCC=CCCCCCCCC(=O)OCC(CO)O