12,12-bis(hydroxymethyl)-13-oxidanyl-tridecanoate

Systemtic Name: 12,12-bis(hydroxymethyl)-13-oxidanyl-tridecanoate Openeye Name: 13-hydroxy-12,12-bis(hydroxymethyl)tridecanoate CAS Name: 13-hydroxy-12,12-bis(hydroxymethyl)tridecanoate IUPAC Name: 13-hydroxy-12,12-bis(hydroxymethyl)tridecanoate Traditional Name: 13-hydroxy-12,12-dimethylol-tridecanoate Formula: C15H29O5- MolecularWeight: 289.38776

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC(CO)(CO)CO)CCCCC(=O)[O-]

Isomeric SMILES

C(CCCCCC(CO)(CO)CO)CCCCC(=O)[O-]

InChI

InChI=1S/C15H30O5/c16-11-15(12-17,13-18)10-8-6-4-2-1-3-5-7-9-14(19)20/h16-18H,1-13H2,(H,19,20)/p-1