benzoic acid; 2,2-bis(hydroxymethyl)butyl prop-2-enoate

Systemtic Name: benzoic acid; 2,2-bis(hydroxymethyl)butyl prop-2-enoate Openeye Name: benzoic acid; 2,2-bis(hydroxymethyl)butyl prop-2-enoate CAS Name: benzoic acid; 2-propenoic acid 2,2-bis(hydroxymethyl)butyl ester IUPAC Name: benzoic acid; 2,2-bis(hydroxymethyl)butyl prop-2-enoate Traditional Name: acrylic acid 2,2-dimethylolbutyl ester; benzoic acid Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4.C7H6O2/c1-3-8(12)13-7-9(4-2,5-10)6-11;8-7(9)6-4-2-1-3-5-6/h3,10-11H,1,4-7H2,2H3;1-5H,(H,8,9)