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

Systemtic Name: 2,5-bis[6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxyhexyl]benzoic acid Openeye Name: 2,5-bis[6-[2-methoxy-4-(1-methoxycarbonylvinyl)phenyl]peroxyhexyl]benzoic acid CAS Name: 2,5-bis[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]dioxyhexyl]benzoic acid IUPAC Name: 2,5-bis[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]peroxyhexyl]benzoic acid Traditional Name: 2,5-bis[6-[4-(1-carbomethoxyvinyl)-2-methoxy-phenyl]peroxyhexyl]benzoic acid Formula: C41H50O12 MolecularWeight: 734.8285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=C)C(=O)OC)OOCCCCCCC2=CC(=C(C=C2)CCCCCCOOC3=C(C=C(C=C3)C(=C)C(=O)OC)OC)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=C)C(=O)OC)OOCCCCCCC2=CC(=C(C=C2)CCCCCCOOC3=C(C=C(C=C3)C(=C)C(=O)OC)OC)C(=O)O

InChI

InChI=1S/C41H50O12/c1-28(40(44)48-5)32-19-21-35(37(26-32)46-3)52-50-23-13-9-7-11-15-30-17-18-31(34(25-30)39(42)43)16-12-8-10-14-24-51-53-36-22-20-33(27-38(36)47-4)29(2)41(45)49-6/h17-22,25-27H,1-2,7-16,23-24H2,3-6H3,(H,42,43)