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4-methyl-3-phosphono-heptane-1,2,3,5-tetracarboxylic acid

4-methyl-3-phosphono-heptane-1,2,3,5-tetracarboxylic acid

Systemtic Name:4-methyl-3-phosphono-heptane-1,2,3,5-tetracarboxylic acid
Openeye Name:4-methyl-3-phosphono-heptane-1,2,3,5-tetracarboxylic acid
CAS Name:4-methyl-3-phosphonoheptane-1,2,3,5-tetracarboxylic acid
IUPAC Name:4-methyl-3-phosphonoheptane-1,2,3,5-tetracarboxylic acid
Traditional Name:4-methyl-3-phosphono-heptane-1,2,3,5-tetracarboxylic acid
Formula: C12H19O11P
MolecularWeight: 370.246421
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H19O11P/c1-3-6(9(15)16)5(2)12(11(19)20,24(21,22)23)7(10(17)18)4-8(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,21,22,23)


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