8-methanoyl-12-phenylmethoxy-heptadecanoic acid

Systemtic Name: 8-methanoyl-12-phenylmethoxy-heptadecanoic acid Openeye Name: 12-benzyloxy-8-formyl-heptadecanoic acid CAS Name: 8-formyl-12-phenylmethoxyheptadecanoic acid IUPAC Name: 8-formyl-12-phenylmethoxyheptadecanoic acid Traditional Name: 12-benzoxy-8-formyl-heptadecanoic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)O)C=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O)C=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H40O4/c1-2-3-7-17-24(29-21-23-14-9-6-10-15-23)18-12-16-22(20-26)13-8-4-5-11-19-25(27)28/h6,9-10,14-15,20,22,24H,2-5,7-8,11-13,16-19,21H2,1H3,(H,27,28)