1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate

Systemtic Name: 1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Openeye Name: [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Traditional Name: valeric acid [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C27H40O3/c1-4-6-8-9-13-19-27(29-22-23(3)30-26(28)16-7-5-2)20-17-25(18-21-27)24-14-11-10-12-15-24/h10-12,14-15,17-18,20-21,23,25H,4-9,13,16,19,22H2,1-3H3