N-[7-hexadecanoyloxy-4,5,6-tris(oxidanyl)-2-oxidanylidene-heptan-3-yl]-1-phenylmethoxy-methanimidate

Systemtic Name: N-[7-hexadecanoyloxy-4,5,6-tris(oxidanyl)-2-oxidanylidene-heptan-3-yl]-1-phenylmethoxy-methanimidate Openeye Name: N-(1-acetyl-5-hexadecanoyloxy-2,3,4-trihydroxy-pentyl)-1-benzyloxy-methanimidate CAS Name: 1-phenylmethoxy-N-[4,5,6-trihydroxy-2-oxo-7-(1-oxohexadecoxy)heptan-3-yl]methanimidate IUPAC Name: N-(7-hexadecanoyloxy-4,5,6-trihydroxy-2-oxoheptan-3-yl)-1-phenylmethoxymethanimidate Traditional Name: N-(1-acetyl-5-hexadecanoyloxy-2,3,4-trihydroxy-pentyl)-1-benzoxy-formimidate Formula: C31H50NO8- MolecularWeight: 564.7306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(C(=O)C)N=C([O-])OCC1=CC=CC=C1)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(C(=O)C)N=C([O-])OCC1=CC=CC=C1)O)O)O

InChI

InChI=1S/C31H51NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27(35)39-23-26(34)29(36)30(37)28(24(2)33)32-31(38)40-22-25-19-16-15-17-20-25/h15-17,19-20,26,28-30,34,36-37H,3-14,18,21-23H2,1-2H3,(H,32,38)/p-1