methyl 7-(2-methylphenyl)-4-oxidanylidene-5-[3-(thiophen-3-ylmethoxy)phenyl]peroxycarbonyl-heptanoate

Systemtic Name: methyl 7-(2-methylphenyl)-4-oxidanylidene-5-[3-(thiophen-3-ylmethoxy)phenyl]peroxycarbonyl-heptanoate Openeye Name: methyl 7-(o-tolyl)-4-oxo-5-[3-(3-thienylmethoxy)phenyl]peroxycarbonyl-heptanoate CAS Name: 7-(2-methylphenyl)-4-oxo-5-[oxo-[3-(3-thiophenylmethoxy)phenyl]dioxymethyl]heptanoic acid methyl ester IUPAC Name: methyl 7-(2-methylphenyl)-4-oxo-5-[3-(thiophen-3-ylmethoxy)phenyl]peroxycarbonylheptanoate Traditional Name: 4-keto-7-(o-tolyl)-5-[3-(3-thenyloxy)phenyl]peroxycarbonyl-enanthic acid methyl ester Formula: C27H28O7S MolecularWeight: 496.57202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O7S/c1-19-6-3-4-7-21(19)10-11-24(25(28)12-13-26(29)31-2)27(30)34-33-23-9-5-8-22(16-23)32-17-20-14-15-35-18-20/h3-9,14-16,18,24H,10-13,17H2,1-2H3