4-[2-methyl-4-(pentoxymethyl)phenyl]benzoic acid

Systemtic Name: 4-[2-methyl-4-(pentoxymethyl)phenyl]benzoic acid Openeye Name: 4-[2-methyl-4-(pentoxymethyl)phenyl]benzoic acid CAS Name: 4-[2-methyl-4-(pentoxymethyl)phenyl]benzoic acid IUPAC Name: 4-[2-methyl-4-(pentoxymethyl)phenyl]benzoic acid Traditional Name: 4-[4-(amoxymethyl)-2-methyl-phenyl]benzoic acid Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCCCOCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C20H24O3/c1-3-4-5-12-23-14-16-6-11-19(15(2)13-16)17-7-9-18(10-8-17)20(21)22/h6-11,13H,3-5,12,14H2,1-2H3,(H,21,22)