3-[(2-butylphenyl)methyl]phthalate

Systemtic Name: 3-[(2-butylphenyl)methyl]phthalate Openeye Name: 3-[(2-butylphenyl)methyl]phthalate CAS Name: 3-[(2-butylphenyl)methyl]phthalate IUPAC Name: 3-[(2-butylphenyl)methyl]phthalate Traditional Name: 3-(2-butylbenzyl)phthalate Formula: C19H18O4-2 MolecularWeight: 310.34382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1CC2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC=C1CC2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

InChI

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