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

Systemtic Name: 1-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl heptanoate Openeye Name: [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] heptanoate CAS Name: heptanoic acid 1-[(4-phenyl-1-undecoxy-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(4-phenyl-1-undecoxycyclohexa-2,5-dien-1-yl)oxypropan-2-yl heptanoate Traditional Name: enanthic acid [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C33H52O4 MolecularWeight: 512.76358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCC

InChI

InChI=1S/C33H52O4/c1-4-6-8-10-11-12-13-14-19-27-35-33(25-23-31(24-26-33)30-20-16-15-17-21-30)36-28-29(3)37-32(34)22-18-9-7-5-2/h15-17,20-21,23-26,29,31H,4-14,18-19,22,27-28H2,1-3H3