3-phenylpropyl (E)-non-2-en-7-ynoate

Systemtic Name: 3-phenylpropyl (E)-non-2-en-7-ynoate Openeye Name: 3-phenylpropyl (E)-non-2-en-7-ynoate CAS Name: (E)-non-2-en-7-ynoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (E)-non-2-en-7-ynoate Traditional Name: (E)-non-2-en-7-ynoic acid 3-phenylpropyl ester Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCC=CC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CC#CCCC/C=C/C(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C18H22O2/c1-2-3-4-5-6-10-15-18(19)20-16-11-14-17-12-8-7-9-13-17/h7-10,12-13,15H,4-6,11,14,16H2,1H3/b15-10+