(3aS,4R,6R,7S,7aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-iodanyl-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

Systemtic Name: (3aS,4R,6R,7S,7aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-iodanyl-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran Openeye Name: (3aS,4R,6R,7S,7aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-iodo-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran CAS Name: (3aS,4R,6R,7S,7aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-iodo-2,2-dimethyl-6-(phenylthio)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran IUPAC Name: (3aS,4R,6R,7S,7aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-iodo-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran Traditional Name: (3aS,4R,6R,7S,7aS)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-iodo-2,2-dimethyl-6-(phenylthio)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran Formula: C19H25IO5S MolecularWeight: 492.36827

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C2C3C(C(C(O2)SC4=CC=CC=C4)I)OC(O3)(C)C)C

Isomeric SMILES

CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H]([C@@H]([C@H](O2)SC4=CC=CC=C4)I)OC(O3)(C)C)C

InChI

InChI=1S/C19H25IO5S/c1-18(2)21-10-12(23-18)14-16-15(24-19(3,4)25-16)13(20)17(22-14)26-11-8-6-5-7-9-11/h5-9,12-17H,10H2,1-4H3/t12-,13-,14+,15+,16-,17+/m0/s1