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calcium; 2-ethoxyethanoate; tricosa-2,4-diynoate

calcium; 2-ethoxyethanoate; tricosa-2,4-diynoate

Systemtic Name:calcium; 2-ethoxyethanoate; tricosa-2,4-diynoate
Openeye Name:calcium; 2-ethoxyacetate; tricosa-2,4-diynoate
CAS Name:calcium; 2-ethoxyacetate; tricosa-2,4-diynoate
IUPAC Name:calcium; 2-ethoxyacetate; tricosa-2,4-diynoate
Traditional Name:calcium; 2-ethoxyacetate; tricosa-2,4-diynoate
Formula: C27H44CaO5
MolecularWeight: 488.71326
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC#CC#CC(=O)[O-].CCOCC(=O)[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC#CC#CC(=O)[O-].CCOCC(=O)[O-].[Ca+2]


InChI

InChI=1S/C23H38O2.C4H8O3.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;1-2-7-3-4(5)6;/h2-18H2,1H3,(H,24,25);2-3H2,1H3,(H,5,6);/q;;+2/p-2


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