(phenylmethyl) 2-phenylmethoxyhexadec-4-ynoate

Systemtic Name: (phenylmethyl) 2-phenylmethoxyhexadec-4-ynoate Openeye Name: benzyl 2-benzyloxyhexadec-4-ynoate CAS Name: 2-phenylmethoxy-4-hexadecynoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-phenylmethoxyhexadec-4-ynoate Traditional Name: 2-benzoxyhexadec-4-ynoic acid benzyl ester Formula: C30H40O3 MolecularWeight: 448.6368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CCC(C(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC#CCC(C(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C30H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-29(32-25-27-20-15-13-16-21-27)30(31)33-26-28-22-17-14-18-23-28/h13-18,20-23,29H,2-11,24-26H2,1H3