7-[2-[(E)-3-oxidanyloct-1-enyl]phenyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-oxidanyloct-1-enyl]phenyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]heptanoic acid CAS Name: 7-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]enanthic acid Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=CC=CC=C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1=CC=CC=C1CCCCCCC(=O)O)O

InChI

InChI=1S/C21H32O3/c1-2-3-6-14-20(22)17-16-19-13-10-9-12-18(19)11-7-4-5-8-15-21(23)24/h9-10,12-13,16-17,20,22H,2-8,11,14-15H2,1H3,(H,23,24)/b17-16+