phenyl (2R,3R)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate

Systemtic Name: phenyl (2R,3R)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate Openeye Name: phenyl (2R,3R)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate CAS Name: (2R,3R)-3-[2-(8-phenyloctyl)phenyl]-2-oxiranecarboxylic acid phenyl ester IUPAC Name: phenyl (2R,3R)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate Traditional Name: (2R,3R)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylic acid phenyl ester Formula: C29H32O3 MolecularWeight: 428.56258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C3C(O3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@@H]3[C@@H](O3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H32O3/c30-29(31-25-20-11-6-12-21-25)28-27(32-28)26-22-14-13-19-24(26)18-10-4-2-1-3-7-15-23-16-8-5-9-17-23/h5-6,8-9,11-14,16-17,19-22,27-28H,1-4,7,10,15,18H2/t27-,28-/m1/s1