3-(1-phenylpentan-2-yl)phthalate

Systemtic Name: 3-(1-phenylpentan-2-yl)phthalate Openeye Name: 3-(1-benzylbutyl)phthalate CAS Name: 3-(1-phenylpentan-2-yl)phthalate IUPAC Name: 3-(1-phenylpentan-2-yl)phthalate Traditional Name: 3-(1-benzylbutyl)phthalate Formula: C19H18O4-2 MolecularWeight: 310.34382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)C2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC(CC1=CC=CC=C1)C2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H20O4/c1-2-7-14(12-13-8-4-3-5-9-13)15-10-6-11-16(18(20)21)17(15)19(22)23/h3-6,8-11,14H,2,7,12H2,1H3,(H,20,21)(H,22,23)/p-2