(2S,3S,4S)-3-chloranyl-3-nitro-2-(4-nitrophenyl)-8-prop-2-enyl-2,4-dihydrochromen-4-ol

Systemtic Name: (2S,3S,4S)-3-chloranyl-3-nitro-2-(4-nitrophenyl)-8-prop-2-enyl-2,4-dihydrochromen-4-ol Openeye Name: (2S,3S,4S)-8-allyl-3-chloro-3-nitro-2-(4-nitrophenyl)chroman-4-ol CAS Name: (2S,3S,4S)-3-chloro-3-nitro-2-(4-nitrophenyl)-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (2S,3S,4S)-3-chloro-3-nitro-2-(4-nitrophenyl)-8-prop-2-enyl-2,4-dihydrochromen-4-ol Traditional Name: (2S,3S,4S)-8-allyl-3-chloro-3-nitro-2-(4-nitrophenyl)chroman-4-ol Formula: C18H15ClN2O6 MolecularWeight: 390.7745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(C(C2O)([N+](=O)[O-])Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCC1=CC=CC2=C1O[C@H]([C@@]([C@H]2O)([N+](=O)[O-])Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O6/c1-2-4-11-5-3-6-14-15(11)27-17(18(19,16(14)22)21(25)26)12-7-9-13(10-8-12)20(23)24/h2-3,5-10,16-17,22H,1,4H2/t16-,17-,18+/m0/s1