4-[4-(1-hexoxyethyl)phenyl]benzoate

Systemtic Name: 4-[4-(1-hexoxyethyl)phenyl]benzoate Openeye Name: 4-[4-(1-hexoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexoxyethyl)phenyl]benzoate IUPAC Name: 4-[4-(1-hexoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-hexoxyethyl)phenyl]benzoate Formula: C21H25O3- MolecularWeight: 325.4214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C21H26O3/c1-3-4-5-6-15-24-16(2)17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(22)23/h7-14,16H,3-6,15H2,1-2H3,(H,22,23)/p-1