4-tert-butyl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]benzamide CAS Name: 4-tert-butyl-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S,2S,3R)-2,3-dihydroxy-1-methylol-heptadecyl]benzamide Formula: C29H51NO4 MolecularWeight: 477.71954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C1=CC=C(C=C1)C(C)(C)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)C1=CC=C(C=C1)C(C)(C)C)O)O

InChI

InChI=1S/C29H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)27(33)25(22-31)30-28(34)23-18-20-24(21-19-23)29(2,3)4/h18-21,25-27,31-33H,5-17,22H2,1-4H3,(H,30,34)/t25-,26+,27-/m0/s1