9-(4-methoxyphenyl)-3-oxidanyl-1-(2-oxidanyl-6-phenylmethoxy-phenyl)nonan-1-one

Systemtic Name: 9-(4-methoxyphenyl)-3-oxidanyl-1-(2-oxidanyl-6-phenylmethoxy-phenyl)nonan-1-one Openeye Name: 1-(2-benzyloxy-6-hydroxy-phenyl)-3-hydroxy-9-(4-methoxyphenyl)nonan-1-one CAS Name: 3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-9-(4-methoxyphenyl)-1-nonanone IUPAC Name: 3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one Traditional Name: 1-(2-benzoxy-6-hydroxy-phenyl)-3-hydroxy-9-(4-methoxyphenyl)nonan-1-one Formula: C29H34O5 MolecularWeight: 462.57726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCCC(CC(=O)C2=C(C=CC=C2OCC3=CC=CC=C3)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCCC(CC(=O)C2=C(C=CC=C2OCC3=CC=CC=C3)O)O

InChI

InChI=1S/C29H34O5/c1-33-25-18-16-22(17-19-25)10-5-2-3-8-13-24(30)20-27(32)29-26(31)14-9-15-28(29)34-21-23-11-6-4-7-12-23/h4,6-7,9,11-12,14-19,24,30-31H,2-3,5,8,10,13,20-21H2,1H3