1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Openeye Name: [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] pentanoate CAS Name: pentanoic acid 1-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C28H42O4/c1-4-6-8-9-10-14-22-30-28(31-23-24(3)32-27(29)17-7-5-2)20-18-26(19-21-28)25-15-12-11-13-16-25/h11-13,15-16,18-21,24,26H,4-10,14,17,22-23H2,1-3H3