[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(4-nitrophenyl)sulfanyl-thian-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(4-nitrophenyl)sulfanyl-thian-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6S)-4,5-diacetoxy-6-(4-nitrophenyl)sulfanyl-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6S)-4,5-diacetyloxy-6-[(4-nitrophenyl)thio]-3-thianyl] ester IUPAC Name: [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(4-nitrophenyl)sulfanylthian-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6S)-4,5-diacetoxy-6-[(4-nitrophenyl)thio]tetrahydrothiopyran-3-yl] ester Formula: C17H19NO8S2 MolecularWeight: 429.46466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@@H]1CS[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO8S2/c1-9(19)24-14-8-27-17(16(26-11(3)21)15(14)25-10(2)20)28-13-6-4-12(5-7-13)18(22)23/h4-7,14-17H,8H2,1-3H3/t14-,15+,16-,17+/m1/s1