(1S,3R)-1-(azidomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol

Systemtic Name: (1S,3R)-1-(azidomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1S,3R)-1-(azidomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1S,3R)-1-(azidomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1S,3R)-1-(azidomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1S,3R)-1-(azidomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC2=C(C=CC(=C3CCCCC3)C2O)C(O1)(CN=[N+]=[N-])O

Isomeric SMILES

CC(C)(C)[C@H]1CC2=C(C=CC(=C3CCCCC3)C2O)[C@](O1)(CN=[N+]=[N-])O

InChI

InChI=1S/C20H29N3O3/c1-19(2,3)17-11-15-16(20(25,26-17)12-22-23-21)10-9-14(18(15)24)13-7-5-4-6-8-13/h9-10,17-18,24-25H,4-8,11-12H2,1-3H3/t17-,18?,20-/m1/s1