3-butyl-4-(phenylmethyl)phthalic acid

Systemtic Name: 3-butyl-4-(phenylmethyl)phthalic acid Openeye Name: 4-benzyl-3-butyl-phthalic acid CAS Name: 3-butyl-4-(phenylmethyl)phthalic acid IUPAC Name: 4-benzyl-3-butylphthalic acid Traditional Name: 4-benzyl-3-butyl-phthalic acid Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C19H20O4/c1-2-3-9-15-14(12-13-7-5-4-6-8-13)10-11-16(18(20)21)17(15)19(22)23/h4-8,10-11H,2-3,9,12H2,1H3,(H,20,21)(H,22,23)