2-oxidanylnonadecane-1,2,3-tricarboxylic acid trihydrate

Systemtic Name: 2-oxidanylnonadecane-1,2,3-tricarboxylic acid trihydrate Openeye Name: 2-hydroxynonadecane-1,2,3-tricarboxylic acid trihydrate CAS Name: 2-hydroxynonadecane-1,2,3-tricarboxylic acid trihydrate IUPAC Name: 2-hydroxynonadecane-1,2,3-tricarboxylic acid trihydrate Traditional Name: 2-hydroxynonadecane-1,2,3-tricarboxylic acid trihydrate Formula: C44H86O17 MolecularWeight: 887.14344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O.O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O.O

InChI

InChI=1S/2C22H40O7.3H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24;;;/h2*18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28);3*1H2