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

Systemtic Name: (2S,3S,4S)-3-chloranyl-3-nitro-2-(2-phenylmethoxyphenyl)-8-prop-2-enyl-2,4-dihydrochromen-4-ol Openeye Name: (2S,3S,4S)-8-allyl-2-(2-benzyloxyphenyl)-3-chloro-3-nitro-chroman-4-ol CAS Name: (2S,3S,4S)-3-chloro-3-nitro-2-(2-phenylmethoxyphenyl)-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (2S,3S,4S)-3-chloro-3-nitro-2-(2-phenylmethoxyphenyl)-8-prop-2-enyl-2,4-dihydrochromen-4-ol Traditional Name: (2S,3S,4S)-8-allyl-2-(2-benzoxyphenyl)-3-chloro-3-nitro-chroman-4-ol Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(C(C2O)([N+](=O)[O-])Cl)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C=CCC1=CC=CC2=C1O[C@H]([C@@]([C@H]2O)([N+](=O)[O-])Cl)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C25H22ClNO5/c1-2-9-18-12-8-14-20-22(18)32-24(25(26,23(20)28)27(29)30)19-13-6-7-15-21(19)31-16-17-10-4-3-5-11-17/h2-8,10-15,23-24,28H,1,9,16H2/t23-,24-,25+/m0/s1