1-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanyl-dodecan-3-one

Systemtic Name: 1-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanyl-dodecan-3-one Openeye Name: 1-(4-benzyloxy-3-methoxy-phenyl)-5-hydroxy-dodecan-3-one CAS Name: 5-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-dodecanone IUPAC Name: 5-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)dodecan-3-one Traditional Name: 1-(4-benzoxy-3-methoxy-phenyl)-5-hydroxy-dodecan-3-one Formula: C26H36O4 MolecularWeight: 412.56164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)O

Isomeric SMILES

CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)O

InChI

InChI=1S/C26H36O4/c1-3-4-5-6-10-13-23(27)19-24(28)16-14-21-15-17-25(26(18-21)29-2)30-20-22-11-8-7-9-12-22/h7-9,11-12,15,17-18,23,27H,3-6,10,13-14,16,19-20H2,1-2H3