(Z)-1-[(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-2-diazonio-ethenolate

Systemtic Name: (Z)-1-[(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-2-diazonio-ethenolate Openeye Name: (Z)-1-[(2S,4bS,7R,8aS)-7-tert-butoxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-2-diazonio-ethenolate CAS Name: (Z)-1-[(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-2-diazonioethenolate IUPAC Name: (Z)-1-[(2S,4bS,7R,8aS)-2,4b-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-2-diazonioethenolate Traditional Name: (Z)-1-[(2S,4bS,7R,8aS)-7-tert-butoxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-2-diazonio-ethenolate Formula: C22H36N2O2 MolecularWeight: 360.53344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1)CCC3C2(CCC(C3)OC(C)(C)C)C)C(=C[N+]#N)[O-]

Isomeric SMILES

C[C@@]1(CCC2C(C1)CC[C@@H]3[C@@]2(CC[C@H](C3)OC(C)(C)C)C)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C22H36N2O2/c1-20(2,3)26-17-8-11-22(5)16(12-17)7-6-15-13-21(4,10-9-18(15)22)19(25)14-24-23/h14-18H,6-13H2,1-5H3/b19-14-/t15?,16-,17+,18?,21-,22-/m0/s1