naphthalen-1-yl 3-[2-(8-thiophen-2-yloctyl)-3-(trifluoromethyl)phenyl]oxirane-2-carboxylate

Systemtic Name: naphthalen-1-yl 3-[2-(8-thiophen-2-yloctyl)-3-(trifluoromethyl)phenyl]oxirane-2-carboxylate Openeye Name: 1-naphthyl 3-[2-[8-(2-thienyl)octyl]-3-(trifluoromethyl)phenyl]oxirane-2-carboxylate CAS Name: 3-[2-(8-thiophen-2-yloctyl)-3-(trifluoromethyl)phenyl]-2-oxiranecarboxylic acid 1-naphthalenyl ester IUPAC Name: naphthalen-1-yl 3-[2-(8-thiophen-2-yloctyl)-3-(trifluoromethyl)phenyl]oxirane-2-carboxylate Traditional Name: 3-[2-[8-(2-thienyl)octyl]-3-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid 1-naphthyl ester Formula: C32H31F3O3S MolecularWeight: 552.64695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OC(=O)C3C(O3)C4=C(C(=CC=C4)C(F)(F)F)CCCCCCCCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OC(=O)C3C(O3)C4=C(C(=CC=C4)C(F)(F)F)CCCCCCCCC5=CC=CS5

InChI

InChI=1S/C32H31F3O3S/c33-32(34,35)27-19-10-18-26(25(27)17-6-4-2-1-3-5-14-23-15-11-21-39-23)29-30(38-29)31(36)37-28-20-9-13-22-12-7-8-16-24(22)28/h7-13,15-16,18-21,29-30H,1-6,14,17H2