4-butoxy-5-butyl-2-oxidanylidene-nonane-2,3,4-tricarboxylic acid; carbonic acid; carbonoperoxoic acid

Systemtic Name: 4-butoxy-5-butyl-2-oxidanylidene-nonane-2,3,4-tricarboxylic acid; carbonic acid; carbonoperoxoic acid Openeye Name: 4-butoxy-5-butyl-2-oxo-nonane-2,3,4-tricarboxylic acid; carbonic acid; carbonoperoxoic acid CAS Name: 4-butoxy-5-butyl-2-oxononane-2,3,4-tricarboxylic acid; carbonic acid; carbonoperoxoic acid IUPAC Name: 4-butoxy-5-butyl-2-oxononane-2,3,4-tricarboxylic acid; carbonic acid; carbonoperoxoic acid Traditional Name: 4-butoxy-5-butyl-2-keto-nonane-2,3,4-tricarboxylic acid; carbonic acid; carbonoperoxoic acid Formula: C23H40O18 MolecularWeight: 604.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)O)C(C(C(=O)C)C(=O)O)(C(=O)O)OCCCC.C(=O)(O)O.C(=O)(O)O.C(=O)(O)OO

Isomeric SMILES

CCCCC(CCCC)(C(=O)O)C(C(C(=O)C)C(=O)O)(C(=O)O)OCCCC.C(=O)(O)O.C(=O)(O)O.C(=O)(O)OO

InChI

InChI=1S/C20H34O8.CH2O4.2CH2O3/c1-5-8-11-19(17(24)25,12-9-6-2)20(18(26)27,28-13-10-7-3)15(14(4)21)16(22)23;2-1(3)5-4;2*2-1(3)4/h15H,5-13H2,1-4H3,(H,22,23)(H,24,25)(H,26,27);4H,(H,2,3);2*(H2,2,3,4)