5-[6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxyhexyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxyhexyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[6-[2-methoxy-4-(1-methoxycarbonylvinyl)phenyl]peroxyhexyl]benzoic acid CAS Name: 2-hydroxy-5-[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]dioxyhexyl]benzoic acid IUPAC Name: 2-hydroxy-5-[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]peroxyhexyl]benzoic acid Traditional Name: 5-[6-[4-(1-carbomethoxyvinyl)-2-methoxy-phenyl]peroxyhexyl]-2-hydroxy-benzoic acid Formula: C24H28O8 MolecularWeight: 444.47432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=C)C(=O)OC)OOCCCCCCC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=C)C(=O)OC)OOCCCCCCC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C24H28O8/c1-16(24(28)30-3)18-10-12-21(22(15-18)29-2)32-31-13-7-5-4-6-8-17-9-11-20(25)19(14-17)23(26)27/h9-12,14-15,25H,1,4-8,13H2,2-3H3,(H,26,27)