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

Systemtic Name: 3,4,5-tris[6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxyhexyl]benzoic acid Openeye Name: 3,4,5-tris[6-[2-methoxy-4-(1-methoxycarbonylvinyl)phenyl]peroxyhexyl]benzoic acid CAS Name: 3,4,5-tris[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]dioxyhexyl]benzoic acid IUPAC Name: 3,4,5-tris[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]peroxyhexyl]benzoic acid Traditional Name: 3,4,5-tris[6-[4-(1-carbomethoxyvinyl)-2-methoxy-phenyl]peroxyhexyl]benzoic acid Formula: C58H72O17 MolecularWeight: 1041.18208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=C)C(=O)OC)OOCCCCCCC2=CC(=CC(=C2CCCCCCOOC3=C(C=C(C=C3)C(=C)C(=O)OC)OC)CCCCCCOOC4=C(C=C(C=C4)C(=C)C(=O)OC)OC)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=C)C(=O)OC)OOCCCCCCC2=CC(=CC(=C2CCCCCCOOC3=C(C=C(C=C3)C(=C)C(=O)OC)OC)CCCCCCOOC4=C(C=C(C=C4)C(=C)C(=O)OC)OC)C(=O)O

InChI

InChI=1S/C58H72O17/c1-39(56(61)67-7)42-25-28-49(52(36-42)64-4)73-70-31-19-13-10-16-22-45-34-47(55(59)60)35-46(23-17-11-14-20-32-71-74-50-29-26-43(37-53(50)65-5)40(2)57(62)68-8)48(45)24-18-12-15-21-33-72-75-51-30-27-44(38-54(51)66-6)41(3)58(63)69-9/h25-30,34-38H,1-3,10-24,31-33H2,4-9H3,(H,59,60)