4-[4-(5-methylheptoxy)phenyl]benzoic acid

Systemtic Name: 4-[4-(5-methylheptoxy)phenyl]benzoic acid Openeye Name: 4-[4-(5-methylheptoxy)phenyl]benzoic acid CAS Name: 4-[4-(5-methylheptoxy)phenyl]benzoic acid IUPAC Name: 4-[4-(5-methylheptoxy)phenyl]benzoic acid Traditional Name: 4-[4-(5-methylheptoxy)phenyl]benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C)CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H26O3/c1-3-16(2)6-4-5-15-24-20-13-11-18(12-14-20)17-7-9-19(10-8-17)21(22)23/h7-14,16H,3-6,15H2,1-2H3,(H,22,23)