benzene-1,2-diol; 2,2-bis(hydroxymethyl)propane-1,3-diol; propanoate

Systemtic Name: benzene-1,2-diol; 2,2-bis(hydroxymethyl)propane-1,3-diol; propanoate Openeye Name: benzene-1,2-diol; 2,2-bis(hydroxymethyl)propane-1,3-diol; propanoate CAS Name: benzene-1,2-diol; 2,2-bis(hydroxymethyl)propane-1,3-diol; propanoate IUPAC Name: benzene-1,2-diol; 2,2-bis(hydroxymethyl)propane-1,3-diol; propanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; propionate; pyrocatechol Formula: C14H23O8- MolecularWeight: 319.32762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].C1=CC=C(C(=C1)O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCC(=O)[O-].C1=CC=C(C(=C1)O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C6H6O2.C5H12O4.C3H6O2/c7-5-3-1-2-4-6(5)8;6-1-5(2-7,3-8)4-9;1-2-3(4)5/h1-4,7-8H;6-9H,1-4H2;2H2,1H3,(H,4,5)/p-1