7-hexanoyl-6-(hydroxymethyl)-6,7-bis(oxidanyl)tridecane-5,8-dione

Systemtic Name: 7-hexanoyl-6-(hydroxymethyl)-6,7-bis(oxidanyl)tridecane-5,8-dione Openeye Name: 7-hexanoyl-6,7-dihydroxy-6-(hydroxymethyl)tridecane-5,8-dione CAS Name: 6,7-dihydroxy-6-(hydroxymethyl)-7-(1-oxohexyl)tridecane-5,8-dione IUPAC Name: 7-hexanoyl-6,7-dihydroxy-6-(hydroxymethyl)tridecane-5,8-dione Traditional Name: 7-caproyl-6,7-dihydroxy-6-methylol-tridecane-5,8-dione Formula: C20H36O6 MolecularWeight: 372.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C(=O)CCCCC)(C(CO)(C(=O)CCCC)O)O

Isomeric SMILES

CCCCCC(=O)C(C(=O)CCCCC)(C(CO)(C(=O)CCCC)O)O

InChI

InChI=1S/C20H36O6/c1-4-7-10-13-17(23)20(26,18(24)14-11-8-5-2)19(25,15-21)16(22)12-9-6-3/h21,25-26H,4-15H2,1-3H3