[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(5-nitropyridin-2-yl)sulfanyl-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(5-nitropyridin-2-yl)sulfanyl-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-[(5-nitro-2-pyridyl)sulfanyl]tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-[(5-nitro-2-pyridinyl)thio]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-(5-nitropyridin-2-yl)sulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-methylol-6-[(5-nitro-2-pyridyl)thio]tetrahydropyran-3-yl] ester Formula: C32H26N2O10S MolecularWeight: 630.62124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(OC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SC5=NC=C(C=C5)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SC5=NC=C(C=C5)[N+](=O)[O-])CO

InChI

InChI=1S/C32H26N2O10S/c35-19-24-26(42-29(36)20-10-4-1-5-11-20)27(43-30(37)21-12-6-2-7-13-21)28(44-31(38)22-14-8-3-9-15-22)32(41-24)45-25-17-16-23(18-33-25)34(39)40/h1-18,24,26-28,32,35H,19H2/t24-,26-,27+,28-,32+/m1/s1