2-[2-[(E)-octadec-9-enoyl]phenyl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[2-[(E)-octadec-9-enoyl]phenyl]-2-oxidanyl-ethanoic acid Openeye Name: 2-hydroxy-2-[2-[(E)-octadec-9-enoyl]phenyl]acetic acid CAS Name: 2-hydroxy-2-[2-[(E)-1-oxooctadec-9-enyl]phenyl]acetic acid IUPAC Name: 2-hydroxy-2-[2-[(E)-octadec-9-enoyl]phenyl]acetic acid Traditional Name: 2-hydroxy-2-[2-[(E)-octadec-9-enoyl]phenyl]acetic acid Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1=CC=CC=C1C(C(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1=CC=CC=C1C(C(=O)O)O

InChI

InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(27)22-19-17-18-20-23(22)25(28)26(29)30/h9-10,17-20,25,28H,2-8,11-16,21H2,1H3,(H,29,30)/b10-9+