1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl heptanoate

Systemtic Name: 1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl heptanoate Openeye Name: [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] heptanoate CAS Name: heptanoic 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 heptanoate Traditional Name: enanthic acid [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C30H46O3 MolecularWeight: 454.68444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCC

InChI

InChI=1S/C30H46O3/c1-4-6-8-10-11-16-22-30(23-20-28(21-24-30)27-17-13-12-14-18-27)32-25-26(3)33-29(31)19-15-9-7-5-2/h12-14,17-18,20-21,23-24,26,28H,4-11,15-16,19,22,25H2,1-3H3