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1-butyl-3,4,5-tris(hydroxymethyl)cyclohexane-1,2-dicarboxylic acid

1-butyl-3,4,5-tris(hydroxymethyl)cyclohexane-1,2-dicarboxylic acid

Systemtic Name:1-butyl-3,4,5-tris(hydroxymethyl)cyclohexane-1,2-dicarboxylic acid
Openeye Name:1-butyl-3,4,5-tris(hydroxymethyl)cyclohexane-1,2-dicarboxylic acid
CAS Name:1-butyl-3,4,5-tris(hydroxymethyl)cyclohexane-1,2-dicarboxylic acid
IUPAC Name:1-butyl-3,4,5-tris(hydroxymethyl)cyclohexane-1,2-dicarboxylic acid
Traditional Name:1-butyl-3,4,5-trimethylol-cyclohexane-1,2-dicarboxylic acid
Formula: C15H26O7
MolecularWeight: 318.36274
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(C(C(C1C(=O)O)CO)CO)CO)C(=O)O


Isomeric SMILES

CCCCC1(CC(C(C(C1C(=O)O)CO)CO)CO)C(=O)O


InChI

InChI=1S/C15H26O7/c1-2-3-4-15(14(21)22)5-9(6-16)10(7-17)11(8-18)12(15)13(19)20/h9-12,16-18H,2-8H2,1H3,(H,19,20)(H,21,22)


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