O3-[(1S,2R)-2-(1,3-dithian-2-ylmethyl)-1-methyl-5-oxidanyl-4-oxidanylidene-2,3-dihydronaphthalen-1-yl] O1-prop-2-enyl propanedioate

Systemtic Name: O3-[(1S,2R)-2-(1,3-dithian-2-ylmethyl)-1-methyl-5-oxidanyl-4-oxidanylidene-2,3-dihydronaphthalen-1-yl] O1-prop-2-enyl propanedioate Openeye Name: O1-allyl O3-[(1S,2R)-2-(1,3-dithian-2-ylmethyl)-5-hydroxy-1-methyl-4-oxo-tetralin-1-yl] propanedioate CAS Name: propanedioic acid O3-[(1S,2R)-2-(1,3-dithian-2-ylmethyl)-5-hydroxy-1-methyl-4-oxo-2,3-dihydronaphthalen-1-yl] ester O1-prop-2-enyl ester IUPAC Name: 3-O-[(1S,2R)-2-(1,3-dithian-2-ylmethyl)-5-hydroxy-1-methyl-4-oxo-2,3-dihydronaphthalen-1-yl] 1-O-prop-2-enyl propanedioate Traditional Name: malonic acid O1-allyl ester O3-[(1S,2R)-2-(1,3-dithian-2-ylmethyl)-5-hydroxy-4-keto-1-methyl-tetralin-1-yl] ester Formula: C22H26O6S2 MolecularWeight: 450.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)C2=C1C=CC=C2O)CC3SCCCS3)OC(=O)CC(=O)OCC=C

Isomeric SMILES

C[C@@]1([C@H](CC(=O)C2=C1C=CC=C2O)CC3SCCCS3)OC(=O)CC(=O)OCC=C

InChI

InChI=1S/C22H26O6S2/c1-3-8-27-18(25)13-19(26)28-22(2)14(12-20-29-9-5-10-30-20)11-17(24)21-15(22)6-4-7-16(21)23/h3-4,6-7,14,20,23H,1,5,8-13H2,2H3/t14-,22+/m1/s1