O-[(4S,6S)-2,2-dimethyl-4,6-bis(phenylmethyl)-1,3-dioxan-5-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(4S,6S)-2,2-dimethyl-4,6-bis(phenylmethyl)-1,3-dioxan-5-yl] methylsulfanylmethanethioate Openeye Name: O-[(4S,6S)-4,6-dibenzyl-2,2-dimethyl-1,3-dioxan-5-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(4S,6S)-2,2-dimethyl-4,6-bis(phenylmethyl)-1,3-dioxan-5-yl] ester IUPAC Name: O-[(4S,6S)-4,6-dibenzyl-2,2-dimethyl-1,3-dioxan-5-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(4S,6S)-4,6-dibenzyl-2,2-dimethyl-1,3-dioxan-5-yl] ester Formula: C22H26O3S2 MolecularWeight: 402.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(C(O1)CC2=CC=CC=C2)OC(=S)SC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(O[C@H](C([C@@H](O1)CC2=CC=CC=C2)OC(=S)SC)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H26O3S2/c1-22(2)24-18(14-16-10-6-4-7-11-16)20(23-21(26)27-3)19(25-22)15-17-12-8-5-9-13-17/h4-13,18-20H,14-15H2,1-3H3/t18-,19-/m0/s1