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

Systemtic Name: 1-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 5-methylheptanoate Openeye Name: [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] 5-methylheptanoate CAS Name: 5-methylheptanoic 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 5-methylheptanoate Traditional Name: 5-methylenanthic acid [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C34H54O4 MolecularWeight: 526.79016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54O4/c1-5-7-8-9-10-11-12-13-17-27-36-34(25-23-32(24-26-34)31-20-15-14-16-21-31)37-28-30(4)38-33(35)22-18-19-29(3)6-2/h14-16,20-21,23-26,29-30,32H,5-13,17-19,22,27-28H2,1-4H3