ethyl (2E,4E)-4-[(4-chlorophenyl)-oxidanyl-methyl]-3-methyl-hepta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-4-[(4-chlorophenyl)-oxidanyl-methyl]-3-methyl-hepta-2,4-dienoate Openeye Name: ethyl (2E,4E)-4-[(4-chlorophenyl)-hydroxy-methyl]-3-methyl-hepta-2,4-dienoate CAS Name: (2E,4E)-4-[(4-chlorophenyl)-hydroxymethyl]-3-methylhepta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-4-[(4-chlorophenyl)-hydroxymethyl]-3-methylhepta-2,4-dienoate Traditional Name: (2E,4E)-4-[(4-chlorophenyl)-hydroxy-methyl]-3-methyl-hepta-2,4-dienoic acid ethyl ester Formula: C17H21ClO3 MolecularWeight: 308.79984

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(C1=CC=C(C=C1)Cl)O)C(=CC(=O)OCC)C

Isomeric SMILES

CC/C=C(/C(C1=CC=C(C=C1)Cl)O)\C(=C\C(=O)OCC)\C

InChI

InChI=1S/C17H21ClO3/c1-4-6-15(12(3)11-16(19)21-5-2)17(20)13-7-9-14(18)10-8-13/h6-11,17,20H,4-5H2,1-3H3/b12-11+,15-6+