methyl (2Z,4R,5S,6E)-5-acetyloxy-7-(1,3-dithian-2-yl)-4-phenylmethoxy-hepta-2,6-dienoate

Systemtic Name: methyl (2Z,4R,5S,6E)-5-acetyloxy-7-(1,3-dithian-2-yl)-4-phenylmethoxy-hepta-2,6-dienoate Openeye Name: methyl (2Z,4R,5S,6E)-5-acetoxy-4-benzyloxy-7-(1,3-dithian-2-yl)hepta-2,6-dienoate CAS Name: (2Z,4R,5S,6E)-5-acetyloxy-7-(1,3-dithian-2-yl)-4-phenylmethoxyhepta-2,6-dienoic acid methyl ester IUPAC Name: methyl (2Z,4R,5S,6E)-5-acetyloxy-7-(1,3-dithian-2-yl)-4-phenylmethoxyhepta-2,6-dienoate Traditional Name: (2Z,4R,5S,6E)-5-acetoxy-4-benzoxy-7-(1,3-dithian-2-yl)hepta-2,6-dienoic acid methyl ester Formula: C21H26O5S2 MolecularWeight: 422.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C=CC1SCCCS1)C(C=CC(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H](/C=C/C1SCCCS1)[C@@H](/C=C\C(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26O5S2/c1-16(22)26-19(10-12-21-27-13-6-14-28-21)18(9-11-20(23)24-2)25-15-17-7-4-3-5-8-17/h3-5,7-12,18-19,21H,6,13-15H2,1-2H3/b11-9-,12-10+/t18-,19+/m1/s1