3-methoxy-5-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-4-oxidanyl-benzoic acid

Systemtic Name: 3-methoxy-5-[3-(4-methoxy-3-oxidanyl-phenyl)propanoyl]-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]-5-methoxy-benzoic acid CAS Name: 4-hydroxy-3-[3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl]-5-methoxybenzoic acid IUPAC Name: 4-hydroxy-3-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]-5-methoxybenzoic acid Traditional Name: 4-hydroxy-3-[3-(3-hydroxy-4-methoxy-phenyl)propanoyl]-5-methoxy-benzoic acid Formula: C18H18O7 MolecularWeight: 346.33132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)C2=C(C(=CC(=C2)C(=O)O)OC)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)C2=C(C(=CC(=C2)C(=O)O)OC)O)O

InChI

InChI=1S/C18H18O7/c1-24-15-6-4-10(7-14(15)20)3-5-13(19)12-8-11(18(22)23)9-16(25-2)17(12)21/h4,6-9,20-21H,3,5H2,1-2H3,(H,22,23)