2-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentoxy]benzoic acid

Systemtic Name: 2-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentoxy]benzoic acid Openeye Name: 2-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentoxy]benzoic acid CAS Name: 2-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentoxy]benzoic acid IUPAC Name: 2-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentoxy]benzoic acid Traditional Name: 2-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentoxy]benzoic acid Formula: C28H32O6 MolecularWeight: 464.55008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)COC3=CC=CC=C3C(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)COC3=CC=CC=C3C(=O)O)O)OC

InChI

InChI=1S/C28H32O6/c1-19-25(32-2)16-22(17-26(19)33-3)27(29)21(13-9-12-20-10-5-4-6-11-20)18-34-24-15-8-7-14-23(24)28(30)31/h4-8,10-11,14-17,21,27,29H,9,12-13,18H2,1-3H3,(H,30,31)