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tridecane-1,3,5,7,7,9,11,13-octacarboxylic acid

tridecane-1,3,5,7,7,9,11,13-octacarboxylic acid

Systemtic Name:tridecane-1,3,5,7,7,9,11,13-octacarboxylic acid
Openeye Name:tridecane-1,3,5,7,7,9,11,13-octacarboxylic acid
CAS Name:tridecane-1,3,5,7,7,9,11,13-octacarboxylic acid
IUPAC Name:tridecane-1,3,5,7,7,9,11,13-octacarboxylic acid
Traditional Name:tridecane-1,3,5,7,7,9,11,13-octacarboxylic acid
Formula: C21H28O16
MolecularWeight: 536.43742
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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(CC(CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)(C(=O)O)C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

C(CC(=O)O)C(CC(CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)(C(=O)O)C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C21H28O16/c22-13(23)3-1-9(15(26)27)5-11(17(30)31)7-21(19(34)35,20(36)37)8-12(18(32)33)6-10(16(28)29)2-4-14(24)25/h9-12H,1-8H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)


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