2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; heptanoic acid; nonanoic acid; pentanoic acid

Systemtic Name: 2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; heptanoic acid; nonanoic acid; pentanoic acid Openeye Name: heptanoic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; nonanoic acid; pentanoic acid CAS Name: heptanoic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; nonanoic acid; pentanoic acid IUPAC Name: heptanoic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; nonanoic acid; pentanoic acid Traditional Name: enanthic acid; 2-[(3-hydroxy-2,2-dimethylol-propoxy)methyl]-2-methylol-propane-1,3-diol; pelargonic acid; valeric acid Formula: C31H64O13 MolecularWeight: 644.83206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O

InChI

InChI=1S/C10H22O7.C9H18O2.C7H14O2.C5H10O2/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;1-2-3-4-5-6-7-8-9(10)11;1-2-3-4-5-6-7(8)9;1-2-3-4-5(6)7/h11-16H,1-8H2;2-8H2,1H3,(H,10,11);2-6H2,1H3,(H,8,9);2-4H2,1H3,(H,6,7)