4-[[4-methanoyl-3-oxidanyl-2-(phenylmethyl)phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-methanoyl-3-oxidanyl-2-(phenylmethyl)phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(2-benzyl-4-formyl-3-hydroxy-phenoxy)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-formyl-3-hydroxy-2-(phenylmethyl)phenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(2-benzyl-4-formyl-3-hydroxyphenoxy)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(2-benzyl-4-formyl-3-hydroxy-phenoxy)methyl]-3-methoxy-benzoic acid Formula: C23H20O6 MolecularWeight: 392.4013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)COC2=C(C(=C(C=C2)C=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)COC2=C(C(=C(C=C2)C=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H20O6/c1-28-21-12-16(23(26)27)7-8-18(21)14-29-20-10-9-17(13-24)22(25)19(20)11-15-5-3-2-4-6-15/h2-10,12-13,25H,11,14H2,1H3,(H,26,27)