[5-(azidomethyl)-2-hexadecyl-2,7,8-trimethyl-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [5-(azidomethyl)-2-hexadecyl-2,7,8-trimethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [5-(azidomethyl)-2-hexadecyl-2,7,8-trimethyl-chroman-6-yl] acetate CAS Name: acetic acid [5-(azidomethyl)-2-hexadecyl-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [5-(azidomethyl)-2-hexadecyl-2,7,8-trimethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [5-(azidomethyl)-2-cetyl-2,7,8-trimethyl-chroman-6-yl] ester Formula: C31H51N3O3 MolecularWeight: 513.75494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C)CN=[N+]=[N-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C)CN=[N+]=[N-])C

InChI

InChI=1S/C31H51N3O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31(5)22-20-27-28(23-33-34-32)29(36-26(4)35)24(2)25(3)30(27)37-31/h6-23H2,1-5H3