1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate; 1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate

Systemtic Name: 1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate; 1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Openeye Name: [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] hexanoate; [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] pentanoate CAS Name: hexanoic acid 1-[(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester; pentanoic acid 1-[(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate; 1-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Traditional Name: hexanoic acid [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester; valeric acid [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C57H86O6 MolecularWeight: 867.28914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC.CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC.CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C29H44O3.C28H42O3/c1-4-6-8-9-10-15-21-29(31-24-25(3)32-28(30)18-12-7-5-2)22-19-27(20-23-29)26-16-13-11-14-17-26;1-4-6-8-9-10-14-20-28(30-23-24(3)31-27(29)17-7-5-2)21-18-26(19-22-28)25-15-12-11-13-16-25/h11,13-14,16-17,19-20,22-23,25,27H,4-10,12,15,18,21,24H2,1-3H3;11-13,15-16,18-19,21-22,24,26H,4-10,14,17,20,23H2,1-3H3