8-[2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]octanoic acid

Systemtic Name: 8-[2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]octanoic acid Openeye Name: 8-[2-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenoxy]octanoic acid CAS Name: 8-[2-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]octanoic acid IUPAC Name: 8-[2-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]octanoic acid Traditional Name: 8-[2-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenoxy]caprylic acid Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)O)OCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22O5/c18-16(19)10-4-2-1-3-7-13-22-15-9-6-5-8-14(15)11-12-17(20)21/h5-6,8-9,11-12H,1-4,7,10,13H2,(H,18,19)(H,20,21)/b12-11+