octadecanoate; phthalate

Systemtic Name: octadecanoate; phthalate Openeye Name: octadecanoate; phthalate CAS Name: octadecanoate; phthalate IUPAC Name: octadecanoate; phthalate Traditional Name: phthalate; stearate Formula: C26H39O6-3 MolecularWeight: 447.58426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H36O2.C8H6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-17H2,1H3,(H,19,20);1-4H,(H,9,10)(H,11,12)/p-3