[(8S)-6-oxidanyl-8-phenylmethoxy-undec-4-ynyl] benzoate

Systemtic Name: [(8S)-6-oxidanyl-8-phenylmethoxy-undec-4-ynyl] benzoate Openeye Name: [(8S)-8-benzyloxy-6-hydroxy-undec-4-ynyl] benzoate CAS Name: benzoic acid [(8S)-6-hydroxy-8-phenylmethoxyundec-4-ynyl] ester IUPAC Name: [(8S)-6-hydroxy-8-phenylmethoxyundec-4-ynyl] benzoate Traditional Name: benzoic acid [(8S)-8-benzoxy-6-hydroxy-undec-4-ynyl] ester Formula: C25H30O4 MolecularWeight: 394.5033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C#CCCCOC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](CC(C#CCCCOC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H30O4/c1-2-12-24(29-20-21-13-6-3-7-14-21)19-23(26)17-10-5-11-18-28-25(27)22-15-8-4-9-16-22/h3-4,6-9,13-16,23-24,26H,2,5,11-12,18-20H2,1H3/t23?,24-/m0/s1