calcium 2-docosoxycarbonylbenzoate

Systemtic Name: calcium 2-docosoxycarbonylbenzoate Openeye Name: calcium 2-docosoxycarbonylbenzoate CAS Name: calcium 2-[docosoxy(oxo)methyl]benzoate IUPAC Name: calcium 2-docosoxycarbonylbenzoate Traditional Name: calcium 2-behenyloxycarbonylbenzoate Formula: C30H49CaO4+ MolecularWeight: 513.78566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-30(33)28-25-22-21-24-27(28)29(31)32;/h21-22,24-25H,2-20,23,26H2,1H3,(H,31,32);/q;+2/p-1