4-[4-(3-methylbutyl)phenyl]benzoic acid

Systemtic Name: 4-[4-(3-methylbutyl)phenyl]benzoic acid Openeye Name: 4-(4-isopentylphenyl)benzoic acid CAS Name: 4-[4-(3-methylbutyl)phenyl]benzoic acid IUPAC Name: 4-[4-(3-methylbutyl)phenyl]benzoic acid Traditional Name: 4-(4-isoamylphenyl)benzoic acid Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20O2/c1-13(2)3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(19)20/h5-13H,3-4H2,1-2H3,(H,19,20)