methyl (2S,3R,4S)-4-methyl-5-oxidanylidene-3-phenylselanyl-2-tridecyl-oxolane-3-carboxylate

Systemtic Name: methyl (2S,3R,4S)-4-methyl-5-oxidanylidene-3-phenylselanyl-2-tridecyl-oxolane-3-carboxylate Openeye Name: methyl (2S,3R,4S)-4-methyl-5-oxo-3-phenylselanyl-2-tridecyl-tetrahydrofuran-3-carboxylate CAS Name: (2S,3R,4S)-4-methyl-5-oxo-3-(phenylseleno)-2-tridecyl-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4S)-4-methyl-5-oxo-3-phenylselanyl-2-tridecyloxolane-3-carboxylate Traditional Name: (2S,3R,4S)-5-keto-4-methyl-3-(phenylseleno)-2-tridecyl-tetrahydrofuran-3-carboxylic acid methyl ester Formula: C26H40O4Se MolecularWeight: 495.5534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(C(=O)O1)C)(C(=O)OC)[Se]C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC[C@H]1[C@]([C@H](C(=O)O1)C)(C(=O)OC)[Se]C2=CC=CC=C2

InChI

InChI=1S/C26H40O4Se/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26(25(28)29-3,21(2)24(27)30-23)31-22-18-15-14-16-19-22/h14-16,18-19,21,23H,4-13,17,20H2,1-3H3/t21-,23-,26+/m0/s1