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

Systemtic Name: (1S,3R)-1,3-bis(azidomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1S,3R)-1,3-bis(azidomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1S,3R)-1,3-bis(azidomethyl)-6-cyclohexylidene-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1S,3R)-1,3-bis(azidomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1S,3R)-1,3-bis(azidomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C=CC3=C(C2O)CC(OC3(CN=[N+]=[N-])O)CN=[N+]=[N-])CC1

Isomeric SMILES

C1CCC(=C2C=CC3=C(C2O)C[C@@H](O[C@@]3(CN=[N+]=[N-])O)CN=[N+]=[N-])CC1

InChI

InChI=1S/C17H22N6O3/c18-22-20-9-12-8-14-15(17(25,26-12)10-21-23-19)7-6-13(16(14)24)11-4-2-1-3-5-11/h6-7,12,16,24-25H,1-5,8-10H2/t12-,16?,17-/m1/s1