methyl (E)-3-methyl-6-(2-methylphenyl)-4-[3-(thiophen-3-ylmethoxy)phenyl]peroxycarbonyl-hex-2-enoate

Systemtic Name: methyl (E)-3-methyl-6-(2-methylphenyl)-4-[3-(thiophen-3-ylmethoxy)phenyl]peroxycarbonyl-hex-2-enoate Openeye Name: methyl (E)-3-methyl-6-(o-tolyl)-4-[3-(3-thienylmethoxy)phenyl]peroxycarbonyl-hex-2-enoate CAS Name: (E)-3-methyl-6-(2-methylphenyl)-4-[oxo-[3-(3-thiophenylmethoxy)phenyl]dioxymethyl]-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-3-methyl-6-(2-methylphenyl)-4-[3-(thiophen-3-ylmethoxy)phenyl]peroxycarbonylhex-2-enoate Traditional Name: (E)-3-methyl-6-(o-tolyl)-4-[3-(3-thenyloxy)phenyl]peroxycarbonyl-hex-2-enoic acid methyl ester Formula: C27H28O6S MolecularWeight: 480.57262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=CC(=O)OC)C)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(/C(=C/C(=O)OC)/C)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C27H28O6S/c1-19-7-4-5-8-22(19)11-12-25(20(2)15-26(28)30-3)27(29)33-32-24-10-6-9-23(16-24)31-17-21-13-14-34-18-21/h4-10,13-16,18,25H,11-12,17H2,1-3H3/b20-15+