2-(hydroxymethyl)-2-pentyl-propane-1,3-diol; prop-2-enoic acid

Systemtic Name: 2-(hydroxymethyl)-2-pentyl-propane-1,3-diol; prop-2-enoic acid Openeye Name: acrylic acid; 2-(hydroxymethyl)-2-pentyl-propane-1,3-diol CAS Name: 2-(hydroxymethyl)-2-pentylpropane-1,3-diol; 2-propenoic acid IUPAC Name: 2-(hydroxymethyl)-2-pentylpropane-1,3-diol; prop-2-enoic acid Traditional Name: acrylic acid; 2-amyl-2-methylol-propane-1,3-diol Formula: C18H32O9 MolecularWeight: 392.44128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CO)(CO)CO.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O

Isomeric SMILES

CCCCCC(CO)(CO)CO.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O

InChI

InChI=1S/C9H20O3.3C3H4O2/c1-2-3-4-5-9(6-10,7-11)8-12;3*1-2-3(4)5/h10-12H,2-8H2,1H3;3*2H,1H2,(H,4,5)