3-hexyl-4-nonyl-phthalate

Systemtic Name: 3-hexyl-4-nonyl-phthalate Openeye Name: 3-hexyl-4-nonyl-phthalate CAS Name: 3-hexyl-4-nonylphthalate IUPAC Name: 3-hexyl-4-nonylphthalate Traditional Name: 3-hexyl-4-nonyl-phthalate Formula: C23H34O4-2 MolecularWeight: 374.51366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCC

InChI

InChI=1S/C23H36O4/c1-3-5-7-9-10-11-12-14-18-16-17-20(22(24)25)21(23(26)27)19(18)15-13-8-6-4-2/h16-17H,3-15H2,1-2H3,(H,24,25)(H,26,27)/p-2