1-phenyl-4-propyl-benzene; 2-(4-propylphenyl)benzoate

Systemtic Name: 1-phenyl-4-propyl-benzene; 2-(4-propylphenyl)benzoate Openeye Name: 1-phenyl-4-propyl-benzene; 2-(4-propylphenyl)benzoate CAS Name: 1-phenyl-4-propylbenzene; 2-(4-propylphenyl)benzoate IUPAC Name: 1-phenyl-4-propylbenzene; 2-(4-propylphenyl)benzoate Traditional Name: 1-phenyl-4-propyl-benzene; 2-(4-propylphenyl)benzoate Formula: C31H31O2- MolecularWeight: 435.57664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H16O2.C15H16/c1-2-5-12-8-10-13(11-9-12)14-6-3-4-7-15(14)16(17)18;1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-4,6-11H,2,5H2,1H3,(H,17,18);3-5,7-12H,2,6H2,1H3/p-1