benzoic acid; 2-(4-pentylcyclohexyl)benzoate

Systemtic Name: benzoic acid; 2-(4-pentylcyclohexyl)benzoate Openeye Name: benzoic acid; 2-(4-pentylcyclohexyl)benzoate CAS Name: benzoic acid; 2-(4-pentylcyclohexyl)benzoate IUPAC Name: benzoic acid; 2-(4-pentylcyclohexyl)benzoate Traditional Name: 2-(4-amylcyclohexyl)benzoate; benzoic acid Formula: C25H31O4- MolecularWeight: 395.51124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H26O2.C7H6O2/c1-2-3-4-7-14-10-12-15(13-11-14)16-8-5-6-9-17(16)18(19)20;8-7(9)6-4-2-1-3-5-6/h5-6,8-9,14-15H,2-4,7,10-13H2,1H3,(H,19,20);1-5H,(H,8,9)/p-1