[4-[4-(3-methylpentyl)phenyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-methylbenzoate Openeye Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester Formula: C26H28O2 MolecularWeight: 372.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)CCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28O2/c1-4-19(2)5-8-21-9-13-22(14-10-21)23-15-17-25(18-16-23)28-26(27)24-11-6-20(3)7-12-24/h6-7,9-19H,4-5,8H2,1-3H3