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

Systemtic Name: 1-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 4-methylpentanoate Openeye Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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 4-methylpentanoate Traditional Name: 4-methylvaleric 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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H40O4/c1-5-6-7-11-20-29-27(30-21-23(4)31-26(28)15-14-22(2)3)18-16-25(17-19-27)24-12-9-8-10-13-24/h8-10,12-13,16-19,22-23,25H,5-7,11,14-15,20-21H2,1-4H3