3-[(R)-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]-oxidanyl-methyl]benzoic acid

Systemtic Name: 3-[(R)-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]-oxidanyl-methyl]benzoic acid Openeye Name: 3-[(R)-[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]-hydroxy-methyl]benzoic acid CAS Name: 3-[(R)-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-hydroxymethyl]benzoic acid IUPAC Name: 3-[(R)-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-hydroxymethyl]benzoic acid Traditional Name: 3-[(R)-[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]-hydroxy-methyl]benzoic acid Formula: C26H26O6 MolecularWeight: 434.48104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)C(C3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)[C@H](C3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C26H26O6/c1-3-5-22-23(13-12-21(16(2)27)25(22)29)32-15-17-8-10-18(11-9-17)24(28)19-6-4-7-20(14-19)26(30)31/h4,6-14,24,28-29H,3,5,15H2,1-2H3,(H,30,31)/t24-/m1/s1