methyl 4-[(E)-3-methylidenehept-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-methylidenehept-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-methylenehept-1-enyl]benzoate CAS Name: 4-[(E)-3-methylenehept-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-methylidenehept-1-enyl]benzoate Traditional Name: 4-[(1E)-3-butylbuta-1,3-dienyl]benzoic acid methyl ester Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C=CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCC(=C)/C=C/C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H20O2/c1-4-5-6-13(2)7-8-14-9-11-15(12-10-14)16(17)18-3/h7-12H,2,4-6H2,1,3H3/b8-7+