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

Systemtic Name: 3-oxidanyl-1-(2-oxidanyl-6-phenylmethoxy-phenyl)dodecan-1-one Openeye Name: 1-(2-benzyloxy-6-hydroxy-phenyl)-3-hydroxy-dodecan-1-one CAS Name: 3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-1-dodecanone IUPAC Name: 3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)dodecan-1-one Traditional Name: 1-(2-benzoxy-6-hydroxy-phenyl)-3-hydroxy-dodecan-1-one Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(=O)C1=C(C=CC=C1OCC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCCCCCC(CC(=O)C1=C(C=CC=C1OCC2=CC=CC=C2)O)O

InChI

InChI=1S/C25H34O4/c1-2-3-4-5-6-7-11-15-21(26)18-23(28)25-22(27)16-12-17-24(25)29-19-20-13-9-8-10-14-20/h8-10,12-14,16-17,21,26-27H,2-7,11,15,18-19H2,1H3