(5-octan-4-yloxycyclohexa-1,5-dien-1-yl) benzoate

Systemtic Name: (5-octan-4-yloxycyclohexa-1,5-dien-1-yl) benzoate Openeye Name: [5-(1-propylpentoxy)cyclohexa-1,5-dien-1-yl] benzoate CAS Name: benzoic acid (5-octan-4-yloxy-1-cyclohexa-1,5-dienyl) ester IUPAC Name: (5-octan-4-yloxycyclohexa-1,5-dien-1-yl) benzoate Traditional Name: benzoic acid [5-(1-propylpentoxy)cyclohexa-1,5-dien-1-yl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC(=CCC1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CCC)OC1=CC(=CCC1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28O3/c1-3-5-13-18(10-4-2)23-19-14-9-15-20(16-19)24-21(22)17-11-7-6-8-12-17/h6-8,11-12,15-16,18H,3-5,9-10,13-14H2,1-2H3