calcium (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate

Systemtic Name: calcium (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate Openeye Name: calcium (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate CAS Name: calcium (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate IUPAC Name: calcium (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate Traditional Name: calcium (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate Formula: C32H46CaO4 MolecularWeight: 534.78324

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC=CCC=CCC=CCCCCC(=O)[O-].C=CCC=CCC=CCC=CCCCCC(=O)[O-].[Ca+2]

Isomeric SMILES

C=CC/C=C/C/C=C/C/C=C/CCCCC(=O)[O-].C=CC/C=C/C/C=C/C/C=C/CCCCC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H24O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2,4-5,7-8,10-11H,1,3,6,9,12-15H2,(H,17,18);/q;;+2/p-2/b2*5-4+,8-7+,11-10+;