[(3R,4R)-4-phenylmethoxyhexadec-1-en-3-yl] prop-2-enoate

Systemtic Name: [(3R,4R)-4-phenylmethoxyhexadec-1-en-3-yl] prop-2-enoate Openeye Name: [(1R,2R)-2-benzyloxy-1-vinyl-tetradecyl] prop-2-enoate CAS Name: 2-propenoic acid [(3R,4R)-4-phenylmethoxyhexadec-1-en-3-yl] ester IUPAC Name: [(3R,4R)-4-phenylmethoxyhexadec-1-en-3-yl] prop-2-enoate Traditional Name: acrylic acid [(1R)-1-[(1R)-1-benzoxytridecyl]allyl] ester Formula: C26H40O3 MolecularWeight: 400.594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C=C)OC(=O)C=C)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC[C@H]([C@@H](C=C)OC(=O)C=C)OCC1=CC=CC=C1

InChI

InChI=1S/C26H40O3/c1-4-7-8-9-10-11-12-13-14-18-21-25(24(5-2)29-26(27)6-3)28-22-23-19-16-15-17-20-23/h5-6,15-17,19-20,24-25H,2-4,7-14,18,21-22H2,1H3/t24-,25-/m1/s1