[(2R,3S,4S,5R,6S)-6-(2-methylphenyl)sulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2-methylbutanoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-(2-methylphenyl)sulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2-methylbutanoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(o-tolylsulfanyl)tetrahydropyran-2-yl]methyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-methylphenyl)thio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methylphenyl)sulfanyloxan-2-yl]methyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(o-tolylthio)tetrahydropyran-2-yl]methyl ester Formula: C18H26O6S MolecularWeight: 370.46044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2C)O)O)O

Isomeric SMILES

CCC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2C)O)O)O

InChI

InChI=1S/C18H26O6S/c1-4-10(2)17(22)23-9-12-14(19)15(20)16(21)18(24-12)25-13-8-6-5-7-11(13)3/h5-8,10,12,14-16,18-21H,4,9H2,1-3H3/t10?,12-,14-,15+,16-,18+/m1/s1