2-[(E,1R)-2,2-dimethyl-1-phenylmethoxy-4-(phenylsulfonyl)but-3-enyl]-1,3-dithiane

Systemtic Name: 2-[(E,1R)-2,2-dimethyl-1-phenylmethoxy-4-(phenylsulfonyl)but-3-enyl]-1,3-dithiane Openeye Name: 2-[(E,1R)-4-(benzenesulfonyl)-1-benzyloxy-2,2-dimethyl-but-3-enyl]-1,3-dithiane CAS Name: 2-[(E,1R)-4-(benzenesulfonyl)-2,2-dimethyl-1-phenylmethoxybut-3-enyl]-1,3-dithiane IUPAC Name: 2-[(E,1R)-4-(benzenesulfonyl)-2,2-dimethyl-1-phenylmethoxybut-3-enyl]-1,3-dithiane Traditional Name: 2-[(E,1R)-1-benzoxy-4-besyl-2,2-dimethyl-but-3-enyl]-1,3-dithiane Formula: C23H28O3S3 MolecularWeight: 448.66162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CS(=O)(=O)C1=CC=CC=C1)C(C2SCCCS2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(/C=C/S(=O)(=O)C1=CC=CC=C1)[C@H](C2SCCCS2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28O3S3/c1-23(2,14-17-29(24,25)20-12-7-4-8-13-20)21(22-27-15-9-16-28-22)26-18-19-10-5-3-6-11-19/h3-8,10-14,17,21-22H,9,15-16,18H2,1-2H3/b17-14+/t21-/m0/s1