8-oxidanyl-9-phenylmethoxy-8-(4-phenylmethoxynonyl)heptadecanoic acid

Systemtic Name: 8-oxidanyl-9-phenylmethoxy-8-(4-phenylmethoxynonyl)heptadecanoic acid Openeye Name: 9-benzyloxy-8-(4-benzyloxynonyl)-8-hydroxy-heptadecanoic acid CAS Name: 8-hydroxy-9-phenylmethoxy-8-(4-phenylmethoxynonyl)heptadecanoic acid IUPAC Name: 8-hydroxy-9-phenylmethoxy-8-(4-phenylmethoxynonyl)heptadecanoic acid Traditional Name: 9-benzoxy-8-(4-benzoxynonyl)-8-hydroxy-heptadecanoic acid Formula: C40H64O5 MolecularWeight: 624.93316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCC(=O)O)(CCCC(CCCCC)OCC1=CC=CC=C1)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(C(CCCCCCC(=O)O)(CCCC(CCCCC)OCC1=CC=CC=C1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C40H64O5/c1-3-5-7-8-9-19-29-38(45-34-36-25-17-13-18-26-36)40(43,31-21-11-10-20-30-39(41)42)32-22-28-37(27-14-6-4-2)44-33-35-23-15-12-16-24-35/h12-13,15-18,23-26,37-38,43H,3-11,14,19-22,27-34H2,1-2H3,(H,41,42)