3-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzoic acid

Systemtic Name: 3-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzoic acid Openeye Name: 3-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzoic acid CAS Name: 3-[2,2-bis(hydroxymethyl)butoxy-oxomethyl]benzoic acid IUPAC Name: 3-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzoic acid Traditional Name: 3-(2,2-dimethylolbutoxycarbonyl)benzoic acid Formula: C14H18O6 MolecularWeight: 282.28912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O6/c1-2-14(7-15,8-16)9-20-13(19)11-5-3-4-10(6-11)12(17)18/h3-6,15-16H,2,7-9H2,1H3,(H,17,18)