2-[(E)-octadec-9-enyl]benzoic acid

Systemtic Name: 2-[(E)-octadec-9-enyl]benzoic acid Openeye Name: 2-[(E)-octadec-9-enyl]benzoic acid CAS Name: 2-[(E)-octadec-9-enyl]benzoic acid IUPAC Name: 2-[(E)-octadec-9-enyl]benzoic acid Traditional Name: 2-[(E)-octadec-9-enyl]benzoic acid Formula: C25H40O2 MolecularWeight: 372.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(26)27/h9-10,18-19,21-22H,2-8,11-17,20H2,1H3,(H,26,27)/b10-9+