octadecanoate; terephthalate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC(=CC=C1C(=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)5-1-2-6(4-3-5)8(11)12/h2-17H2,1H3,(H,19,20);1-4H,(H,9,10)(H,11,12)/p-3