3-hexyl-4-(4-pentoxyphenyl)benzoate

Systemtic Name: 3-hexyl-4-(4-pentoxyphenyl)benzoate Openeye Name: 3-hexyl-4-(4-pentoxyphenyl)benzoate CAS Name: 3-hexyl-4-(4-pentoxyphenyl)benzoate IUPAC Name: 3-hexyl-4-(4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxyphenyl)-3-hexyl-benzoate Formula: C24H31O3- MolecularWeight: 367.50114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(C=C2)OCCCCC

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(C=C2)OCCCCC

InChI

InChI=1S/C24H32O3/c1-3-5-7-8-10-20-18-21(24(25)26)13-16-23(20)19-11-14-22(15-12-19)27-17-9-6-4-2/h11-16,18H,3-10,17H2,1-2H3,(H,25,26)/p-1