O-[(3aS,4R,6S,7R,7aS)-2,2,4-trimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(3aS,4R,6S,7R,7aS)-2,2,4-trimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] methylsulfanylmethanethioate Openeye Name: O-[(3aS,4R,6S,7R,7aS)-6-benzyloxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(3aS,4R,6S,7R,7aS)-2,2,4-trimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] ester IUPAC Name: O-[(3aS,4R,6S,7R,7aS)-2,2,4-trimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(3aS,4R,6S,7R,7aS)-6-benzoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] ester Formula: C18H24O5S2 MolecularWeight: 384.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(C(O1)OCC3=CC=CC=C3)OC(=S)SC)OC(O2)(C)C

Isomeric SMILES

C[C@@H]1[C@H]2[C@@H]([C@H]([C@H](O1)OCC3=CC=CC=C3)OC(=S)SC)OC(O2)(C)C

InChI

InChI=1S/C18H24O5S2/c1-11-13-14(23-18(2,3)22-13)15(21-17(24)25-4)16(20-11)19-10-12-8-6-5-7-9-12/h5-9,11,13-16H,10H2,1-4H3/t11-,13+,14+,15-,16+/m1/s1