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

Systemtic Name: 3-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzoic acid; 2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate Openeye Name: 3-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzoic acid; 2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate CAS Name: 3-[2,2-bis(hydroxymethyl)butoxy-oxomethyl]benzoic acid; 2-ethylhexanoic acid 2,2-bis(hydroxymethyl)butyl ester IUPAC Name: 3-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzoic acid; 2,2-bis(hydroxymethyl)butyl 2-ethylhexanoate Traditional Name: 3-(2,2-dimethylolbutoxycarbonyl)benzoic acid; 2-ethylhexanoic acid 2,2-dimethylolbutyl ester Formula: C28H46O10 MolecularWeight: 542.65884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O6.C14H28O4/c1-2-14(7-15,8-16)9-20-13(19)11-5-3-4-10(6-11)12(17)18;1-4-7-8-12(5-2)13(17)18-11-14(6-3,9-15)10-16/h3-6,15-16H,2,7-9H2,1H3,(H,17,18);12,15-16H,4-11H2,1-3H3