1-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl butanoate

Systemtic Name: 1-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl butanoate Openeye Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[(1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl butanoate Traditional Name: butyric acid [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCC

InChI

InChI=1S/C25H36O4/c1-4-6-7-11-19-27-25(28-20-21(3)29-24(26)12-5-2)17-15-23(16-18-25)22-13-9-8-10-14-22/h8-10,13-18,21,23H,4-7,11-12,19-20H2,1-3H3