cyclohexane-1,2,3,4,5,6-hexacarboxylic acid hydrate

Systemtic Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid hydrate Openeye Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid hydrate CAS Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid hydrate IUPAC Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid hydrate Traditional Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid hydrate Formula: C12H14O13 MolecularWeight: 366.23176

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O.O

Isomeric SMILES

C1(C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O.O

InChI

InChI=1S/C12H12O12.H2O/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2