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

Systemtic Name: methyl 4-[(E)-1-oxidanylpent-3-enyl]benzoate Openeye Name: methyl 4-[(E)-1-hydroxypent-3-enyl]benzoate CAS Name: 4-[(E)-1-hydroxypent-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-1-hydroxypent-3-enyl]benzoate Traditional Name: 4-[(E)-1-hydroxypent-3-enyl]benzoic acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C1=CC=C(C=C1)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-3-4-5-12(14)10-6-8-11(9-7-10)13(15)16-2/h3-4,6-9,12,14H,5H2,1-2H3/b4-3+