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pentacalcium; hexanedioic acid; 2-oxidanylidenepropanoic acid

pentacalcium; hexanedioic acid; 2-oxidanylidenepropanoic acid

Systemtic Name:pentacalcium; hexanedioic acid; 2-oxidanylidenepropanoic acid
Openeye Name:pentacalcium; adipic acid; 2-oxopropanoic acid
CAS Name:pentacalcium; hexanedioic acid; 2-oxopropanoic acid
IUPAC Name:pentacalcium; hexanedioic acid; 2-oxopropanoic acid
Traditional Name:pentacalcium; adipic acid; pyruvic acid
Formula: C72H106Ca5O62+10
MolecularWeight: 2163.96484
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/5C6H10O4.14C3H4O3.5Ca/c5*7-5(8)3-1-2-4-6(9)10;14*1-2(4)3(5)6;;;;;/h5*1-4H2,(H,7,8)(H,9,10);14*1H3,(H,5,6);;;;;/q;;;;;;;;;;;;;;;;;;;5*+2


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