4-[[4-methanoyl-3-oxidanyl-2-[(E)-3-phenylprop-2-enyl]phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-methanoyl-3-oxidanyl-2-[(E)-3-phenylprop-2-enyl]phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[2-[(E)-cinnamyl]-4-formyl-3-hydroxy-phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-formyl-3-hydroxy-2-[(E)-3-phenylprop-2-enyl]phenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-formyl-3-hydroxy-2-[(E)-3-phenylprop-2-enyl]phenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[2-[(E)-cinnamyl]-4-formyl-3-hydroxy-phenoxy]methyl]-3-methoxy-benzoic acid Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O6/c1-30-23-14-18(25(28)29)10-11-20(23)16-31-22-13-12-19(15-26)24(27)21(22)9-5-8-17-6-3-2-4-7-17/h2-8,10-15,27H,9,16H2,1H3,(H,28,29)/b8-5+