phenyl 4-[4-(4-methylhexyl)phenyl]benzoate

Systemtic Name: phenyl 4-[4-(4-methylhexyl)phenyl]benzoate Openeye Name: phenyl 4-[4-(4-methylhexyl)phenyl]benzoate CAS Name: 4-[4-(4-methylhexyl)phenyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[4-(4-methylhexyl)phenyl]benzoate Traditional Name: 4-[4-(4-methylhexyl)phenyl]benzoic acid phenyl ester Formula: C26H28O2 MolecularWeight: 372.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC(C)CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H28O2/c1-3-20(2)8-7-9-21-12-14-22(15-13-21)23-16-18-24(19-17-23)26(27)28-25-10-5-4-6-11-25/h4-6,10-20H,3,7-9H2,1-2H3