(Z)-2-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-oxidanyl-ethenediazonium

Systemtic Name: (Z)-2-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-oxidanyl-ethenediazonium Openeye Name: (Z)-2-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-hydroxy-ethenediazonium CAS Name: (Z)-2-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-hydroxyethenediazonium IUPAC Name: (Z)-2-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-hydroxyethenediazonium Traditional Name: (Z)-2-hydroxy-2-[[(3S,5S,8R,9S,10S,13S,14S)-17-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]ethenediazonium Formula: C21H31N2O3+ MolecularWeight: 359.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC(=C[N+]#N)O

Isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O/C(=C\[N+]#N)/O

InChI

InChI=1S/C21H30N2O3/c1-20-9-7-14(26-19(25)12-23-22)11-13(20)3-4-15-16-5-6-18(24)21(16,2)10-8-17(15)20/h12-17H,3-11H2,1-2H3/p+1/b19-12-/t13-,14-,15-,16-,17-,20-,21-/m0/s1