calcium 2-icosoxycarbonylbenzoate

Systemtic Name: calcium 2-icosoxycarbonylbenzoate Openeye Name: calcium 2-icosoxycarbonylbenzoate CAS Name: calcium 2-[eicosoxy(oxo)methyl]benzoate IUPAC Name: calcium 2-icosoxycarbonylbenzoate Traditional Name: calcium 2-arachyloxycarbonylbenzoate Formula: C28H45CaO4+ MolecularWeight: 485.7325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Ca+2]

InChI

InChI=1S/C28H46O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(31)26-23-20-19-22-25(26)27(29)30;/h19-20,22-23H,2-18,21,24H2,1H3,(H,29,30);/q;+2/p-1