5-[(E)-octadec-1-enyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(E)-octadec-1-enyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(E)-octadec-1-enyl]benzoic acid CAS Name: 2-hydroxy-5-[(E)-octadec-1-enyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(E)-octadec-1-enyl]benzoic acid Traditional Name: 2-hydroxy-5-[(E)-octadec-1-enyl]benzoic acid Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC1=CC(=C(C=C1)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C1=CC(=C(C=C1)O)C(=O)O

InChI

InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-24(26)23(21-22)25(27)28/h17-21,26H,2-16H2,1H3,(H,27,28)/b18-17+