pentadecanoic acid; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one

Systemtic Name: pentadecanoic acid; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one Openeye Name: pentadecanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one CAS Name: pentadecanoic acid; 1,3,4,5,6-pentahydroxy-2-hexanone IUPAC Name: pentadecanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one Traditional Name: pentadecanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one Formula: C96H192O18 MolecularWeight: 1634.54088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.C(C(C(C(C(=O)CO)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.C(C(C(C(C(=O)CO)O)O)O)O

InChI

InChI=1S/6C15H30O2.C6H12O6/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;7-1-3(9)5(11)6(12)4(10)2-8/h6*2-14H2,1H3,(H,16,17);3,5-9,11-12H,1-2H2