(2,4-dimethylphenyl) 3-[2-[8-(furan-2-yl)octyl]phenyl]oxirane-2-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 3-[2-[8-(furan-2-yl)octyl]phenyl]oxirane-2-carboxylate Openeye Name: (2,4-dimethylphenyl) 3-[2-[8-(2-furyl)octyl]phenyl]oxirane-2-carboxylate CAS Name: 3-[2-[8-(2-furanyl)octyl]phenyl]-2-oxiranecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 3-[2-[8-(furan-2-yl)octyl]phenyl]oxirane-2-carboxylate Traditional Name: 3-[2-[8-(2-furyl)octyl]phenyl]oxirane-2-carboxylic acid (2,4-dimethylphenyl) ester Formula: C29H34O4 MolecularWeight: 446.57786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2C(O2)C3=CC=CC=C3CCCCCCCCC4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2C(O2)C3=CC=CC=C3CCCCCCCCC4=CC=CO4)C

InChI

InChI=1S/C29H34O4/c1-21-17-18-26(22(2)20-21)32-29(30)28-27(33-28)25-16-10-9-13-23(25)12-7-5-3-4-6-8-14-24-15-11-19-31-24/h9-11,13,15-20,27-28H,3-8,12,14H2,1-2H3