4-[3-oxidanyl-5-(4-propan-2-ylphenyl)pentyl]benzoic acid

Systemtic Name: 4-[3-oxidanyl-5-(4-propan-2-ylphenyl)pentyl]benzoic acid Openeye Name: 4-[3-hydroxy-5-(4-isopropylphenyl)pentyl]benzoic acid CAS Name: 4-[3-hydroxy-5-(4-propan-2-ylphenyl)pentyl]benzoic acid IUPAC Name: 4-[3-hydroxy-5-(4-propan-2-ylphenyl)pentyl]benzoic acid Traditional Name: 4-(3-hydroxy-5-p-cumenyl-pentyl)benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCC(CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCC(CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H26O3/c1-15(2)18-9-3-16(4-10-18)7-13-20(22)14-8-17-5-11-19(12-6-17)21(23)24/h3-6,9-12,15,20,22H,7-8,13-14H2,1-2H3,(H,23,24)