4-butyl-3-(phenylmethyl)phthalate

Systemtic Name: 4-butyl-3-(phenylmethyl)phthalate Openeye Name: 3-benzyl-4-butyl-phthalate CAS Name: 4-butyl-3-(phenylmethyl)phthalate IUPAC Name: 3-benzyl-4-butylphthalate Traditional Name: 3-benzyl-4-butyl-phthalate Formula: C19H18O4-2 MolecularWeight: 310.34382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2

InChI

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