1-(2-oxidanyl-6-phenylmethoxy-phenyl)hexadecan-3-one

Systemtic Name: 1-(2-oxidanyl-6-phenylmethoxy-phenyl)hexadecan-3-one Openeye Name: 1-(2-benzyloxy-6-hydroxy-phenyl)hexadecan-3-one CAS Name: 1-(2-hydroxy-6-phenylmethoxyphenyl)-3-hexadecanone IUPAC Name: 1-(2-hydroxy-6-phenylmethoxyphenyl)hexadecan-3-one Traditional Name: 1-(2-benzoxy-6-hydroxy-phenyl)hexadecan-3-one Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)CCC1=C(C=CC=C1OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)CCC1=C(C=CC=C1OCC2=CC=CC=C2)O

InChI

InChI=1S/C29H42O3/c1-2-3-4-5-6-7-8-9-10-11-15-19-26(30)22-23-27-28(31)20-16-21-29(27)32-24-25-17-13-12-14-18-25/h12-14,16-18,20-21,31H,2-11,15,19,22-24H2,1H3