2-[3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 2-[3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2,3-bis(oxidanyl)butanedioic acid Openeye Name: 2,3-dihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]butanedioic acid CAS Name: 2,3-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]butanedioic acid IUPAC Name: 2,3-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid Traditional Name: 2-feruloyl-2,3-dihydroxy-succinic acid Formula: C14H14O9 MolecularWeight: 326.25556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O

InChI

InChI=1S/C14H14O9/c1-23-9-6-7(2-4-8(9)15)3-5-10(16)14(22,13(20)21)11(17)12(18)19/h2-6,11,15,17,22H,1H3,(H,18,19)(H,20,21)