benzoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: benzoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: benzoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: benzoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: benzoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: benzoic acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C13H20O5 MolecularWeight: 256.2949

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C6H14O3/c8-7(9)6-4-2-1-3-5-6;1-2-6(3-7,4-8)5-9/h1-5H,(H,8,9);7-9H,2-5H2,1H3