2-(hydroxymethyl)-2,3-bis(oxidanyl)-1-phenyl-henicosan-1-one

Systemtic Name: 2-(hydroxymethyl)-2,3-bis(oxidanyl)-1-phenyl-henicosan-1-one Openeye Name: 2,3-dihydroxy-2-(hydroxymethyl)-1-phenyl-henicosan-1-one CAS Name: 2,3-dihydroxy-2-(hydroxymethyl)-1-phenyl-1-heneicosanone IUPAC Name: 2,3-dihydroxy-2-(hydroxymethyl)-1-phenylhenicosan-1-one Traditional Name: 2,3-dihydroxy-2-methylol-1-phenyl-heneicosan-1-one Formula: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(CO)(C(=O)C1=CC=CC=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(CO)(C(=O)C1=CC=CC=C1)O)O

InChI

InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(30)28(32,24-29)27(31)25-21-18-17-19-22-25/h17-19,21-22,26,29-30,32H,2-16,20,23-24H2,1H3