3-phenylpropyl (E)-2-oxidanylhexadec-10-en-8,12-diynoate

Systemtic Name: 3-phenylpropyl (E)-2-oxidanylhexadec-10-en-8,12-diynoate Openeye Name: 3-phenylpropyl (E)-2-hydroxyhexadec-10-en-8,12-diynoate CAS Name: (E)-2-hydroxyhexadec-10-en-8,12-diynoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (E)-2-hydroxyhexadec-10-en-8,12-diynoate Traditional Name: (E)-2-hydroxyhexadec-10-en-8,12-diynoic acid 3-phenylpropyl ester Formula: C25H32O3 MolecularWeight: 380.51978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-24(26)25(27)28-22-17-20-23-18-14-13-15-19-23/h6-7,13-15,18-19,24,26H,2-3,10-12,16-17,20-22H2,1H3/b7-6+