6-[4-(4-heptylphenyl)phenoxy]hexan-2-yl propanoate

Systemtic Name: 6-[4-(4-heptylphenyl)phenoxy]hexan-2-yl propanoate Openeye Name: [5-[4-(4-heptylphenyl)phenoxy]-1-methyl-pentyl] propanoate CAS Name: propanoic acid 6-[4-(4-heptylphenyl)phenoxy]hexan-2-yl ester IUPAC Name: 6-[4-(4-heptylphenyl)phenoxy]hexan-2-yl propanoate Traditional Name: propionic acid [5-[4-(4-heptylphenyl)phenoxy]-1-methyl-pentyl] ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC(C)OC(=O)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC(C)OC(=O)CC

InChI

InChI=1S/C28H40O3/c1-4-6-7-8-9-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)30-22-11-10-12-23(3)31-28(29)5-2/h14-21,23H,4-13,22H2,1-3H3