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calcium; (E)-but-2-enedioate; octadecane

calcium; (E)-but-2-enedioate; octadecane

Systemtic Name:calcium; (E)-but-2-enedioate; octadecane
Openeye Name:calcium; (E)-but-2-enedioate; octadecane
CAS Name:calcium; (E)-2-butenedioate; octadecane
IUPAC Name:calcium; (E)-but-2-enedioate; octadecane
Traditional Name:calcium octadecane fumarate
Formula: C40H76CaO4-2
MolecularWeight: 661.10704
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[CH2-].CCCCCCCCCCCCCCCCC[CH2-].C(=CC(=O)[O-])C(=O)[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCCCCCC[CH2-].CCCCCCCCCCCCCCCCC[CH2-].C(=C/C(=O)[O-])\C(=O)[O-].[Ca+2]


InChI

InChI=1S/2C18H37.C4H4O4.Ca/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-18H2,2H3;1-2H,(H,5,6)(H,7,8);/q2*-1;;+2/p-2/b;;2-1+;


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