phenylcarbonyl 2-[2-[(E)-2-methyl-3-oxidanyl-prop-2-enoyl]oxybutyl]benzoate

Systemtic Name: phenylcarbonyl 2-[2-[(E)-2-methyl-3-oxidanyl-prop-2-enoyl]oxybutyl]benzoate Openeye Name: benzoyl 2-[2-[(E)-3-hydroxy-2-methyl-prop-2-enoyl]oxybutyl]benzoate CAS Name: 2-[2-[(E)-3-hydroxy-2-methyl-1-oxoprop-2-enoxy]butyl]benzoic acid benzoyl ester IUPAC Name: benzoyl 2-[2-[(E)-3-hydroxy-2-methylprop-2-enoyl]oxybutyl]benzoate Traditional Name: 2-[2-[(E)-3-hydroxy-2-methyl-acryloyl]oxybutyl]benzoic acid benzoyl ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2)OC(=O)C(=CO)C

Isomeric SMILES

CCC(CC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2)OC(=O)/C(=C/O)/C

InChI

InChI=1S/C22H22O6/c1-3-18(27-20(24)15(2)14-23)13-17-11-7-8-12-19(17)22(26)28-21(25)16-9-5-4-6-10-16/h4-12,14,18,23H,3,13H2,1-2H3/b15-14+