2-methyl-6-(4-methylpentoxy)-4-phenylmethoxy-benzoic acid

Systemtic Name: 2-methyl-6-(4-methylpentoxy)-4-phenylmethoxy-benzoic acid Openeye Name: 4-benzyloxy-2-isohexyloxy-6-methyl-benzoic acid CAS Name: 2-methyl-6-(4-methylpentoxy)-4-phenylmethoxybenzoic acid IUPAC Name: 2-methyl-6-(4-methylpentoxy)-4-phenylmethoxybenzoic acid Traditional Name: 4-benzoxy-2-isohexyloxy-6-methyl-benzoic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)OCCCC(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)OCCCC(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26O4/c1-15(2)8-7-11-24-19-13-18(12-16(3)20(19)21(22)23)25-14-17-9-5-4-6-10-17/h4-6,9-10,12-13,15H,7-8,11,14H2,1-3H3,(H,22,23)