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

Systemtic Name: 1-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate Openeye Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] hexanoate CAS Name: hexanoic 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 hexanoate Traditional Name: hexanoic acid [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O4/c1-4-6-8-13-21-29-27(30-22-23(3)31-26(28)16-10-7-5-2)19-17-25(18-20-27)24-14-11-9-12-15-24/h9,11-12,14-15,17-20,23,25H,4-8,10,13,16,21-22H2,1-3H3