O-[(2R,3R,4S,5R,6R)-2-[(2R)-3-hexadecoxy-2-methoxy-propoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(2R,3R,4S,5R,6R)-2-[(2R)-3-hexadecoxy-2-methoxy-propoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] methylsulfanylmethanethioate Openeye Name: O-[(2R,3R,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-[(2R)-3-hexadecoxy-2-methoxy-propoxy]tetrahydropyran-3-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(2R,3R,4S,5R,6R)-2-[(2R)-3-hexadecoxy-2-methoxypropoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: O-[(2R,3R,4S,5R,6R)-2-[(2R)-3-hexadecoxy-2-methoxypropoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(2R,3R,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-[(2R)-3-cetyloxy-2-methoxy-propoxy]tetrahydropyran-3-yl] ester Formula: C49H72O8S2 MolecularWeight: 853.22118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=S)SC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=S)SC)OC

InChI

InChI=1S/C49H72O8S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-51-37-43(50-2)38-55-48-47(57-49(58)59-3)46(54-36-42-31-24-19-25-32-42)45(53-35-41-29-22-18-23-30-41)44(56-48)39-52-34-40-27-20-17-21-28-40/h17-25,27-32,43-48H,4-16,26,33-39H2,1-3H3/t43-,44-,45-,46+,47-,48-/m1/s1