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calcium; dimethyl carbonate; 2-hexyldodecanedioate

calcium; dimethyl carbonate; 2-hexyldodecanedioate

Systemtic Name:calcium; dimethyl carbonate; 2-hexyldodecanedioate
Openeye Name:calcium; dimethyl carbonate; 2-hexyldodecanedioate
CAS Name:calcium; carbonic acid dimethyl ester; 2-hexyldodecanedioate
IUPAC Name:calcium; dimethyl carbonate; 2-hexyldodecanedioate
Traditional Name:calcium; carbonic acid dimethyl ester; 2-hexyldodecanedioate
Formula: C21H38CaO7
MolecularWeight: 442.60022
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCC(=O)[O-])C(=O)[O-].COC(=O)OC.[Ca+2]


Isomeric SMILES

CCCCCCC(CCCCCCCCCC(=O)[O-])C(=O)[O-].COC(=O)OC.[Ca+2]


InChI

InChI=1S/C18H34O4.C3H6O3.Ca/c1-2-3-4-10-13-16(18(21)22)14-11-8-6-5-7-9-12-15-17(19)20;1-5-3(4)6-2;/h16H,2-15H2,1H3,(H,19,20)(H,21,22);1-2H3;/q;;+2/p-2


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