3-[[4-(3-methylbutyl)phenoxy]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[4-(3-methylbutyl)phenoxy]methyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-[(4-isopentylphenoxy)methyl]benzoic acid CAS Name: 2-hydroxy-3-[[4-(3-methylbutyl)phenoxy]methyl]benzoic acid IUPAC Name: 2-hydroxy-3-[[4-(3-methylbutyl)phenoxy]methyl]benzoic acid Traditional Name: 2-hydroxy-3-[(4-isoamylphenoxy)methyl]benzoic acid Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)OCC2=CC=CC(=C2O)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)OCC2=CC=CC(=C2O)C(=O)O

InChI

InChI=1S/C19H22O4/c1-13(2)6-7-14-8-10-16(11-9-14)23-12-15-4-3-5-17(18(15)20)19(21)22/h3-5,8-11,13,20H,6-7,12H2,1-2H3,(H,21,22)