(2S,3R,4S)-4-methyl-2-(4-nitrophenyl)-4-oxidanyl-2,3-dihydrothiochromene-3-carbaldehyde

Systemtic Name: (2S,3R,4S)-4-methyl-2-(4-nitrophenyl)-4-oxidanyl-2,3-dihydrothiochromene-3-carbaldehyde Openeye Name: (2S,3R,4S)-4-hydroxy-4-methyl-2-(4-nitrophenyl)thiochromane-3-carbaldehyde CAS Name: (2S,3R,4S)-4-hydroxy-4-methyl-2-(4-nitrophenyl)-2,3-dihydro-1-benzothiopyran-3-carboxaldehyde IUPAC Name: (2S,3R,4S)-4-hydroxy-4-methyl-2-(4-nitrophenyl)-2,3-dihydrothiochromene-3-carbaldehyde Traditional Name: (2S,3R,4S)-4-hydroxy-4-methyl-2-(4-nitrophenyl)thiochroman-3-carbaldehyde Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(SC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-])C=O)O

Isomeric SMILES

C[C@@]1([C@@H]([C@H](SC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-])C=O)O

InChI

InChI=1S/C17H15NO4S/c1-17(20)13-4-2-3-5-15(13)23-16(14(17)10-19)11-6-8-12(9-7-11)18(21)22/h2-10,14,16,20H,1H3/t14-,16-,17-/m1/s1