3-tridecylphthalate

Systemtic Name: 3-tridecylphthalate Openeye Name: 3-tridecylphthalate CAS Name: 3-tridecylphthalate IUPAC Name: 3-tridecylphthalate Traditional Name: 3-tridecylphthalate Formula: C21H30O4-2 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(20(22)23)19(17)21(24)25/h13,15-16H,2-12,14H2,1H3,(H,22,23)(H,24,25)/p-2