benzoic acid; (2,2-dimethyl-3-oxidanyl-propyl) prop-2-enoate

Systemtic Name: benzoic acid; (2,2-dimethyl-3-oxidanyl-propyl) prop-2-enoate Openeye Name: benzoic acid; (3-hydroxy-2,2-dimethyl-propyl) prop-2-enoate CAS Name: benzoic acid; 2-propenoic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: benzoic acid; (3-hydroxy-2,2-dimethylpropyl) prop-2-enoate Traditional Name: acrylic acid (3-hydroxy-2,2-dimethyl-propyl) ester; benzoic acid Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O3.C7H6O2/c1-4-7(10)11-6-8(2,3)5-9;8-7(9)6-4-2-1-3-5-6/h4,9H,1,5-6H2,2-3H3;1-5H,(H,8,9)