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

Systemtic Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol Openeye Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol CAS Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol IUPAC Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol Traditional Name: benzoic acid; 2,2-dimethylolpropane-1,3-diol Formula: C40H42O14 MolecularWeight: 746.75308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5C7H6O2.C5H12O4/c5*8-7(9)6-4-2-1-3-5-6;6-1-5(2-7,3-8)4-9/h5*1-5H,(H,8,9);6-9H,1-4H2