(3R)-3-[(4S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-4-phenylmethoxy-butanoic acid

Systemtic Name: (3R)-3-[(4S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-4-phenylmethoxy-butanoic acid Openeye Name: (3R)-4-benzyloxy-3-[(4S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]butanoic acid CAS Name: (3R)-3-[(4S)-2,2-dimethyl-5-(phenylthio)-1,3-dioxolan-4-yl]-4-phenylmethoxybutanoic acid IUPAC Name: (3R)-3-[(4S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-4-phenylmethoxybutanoic acid Traditional Name: (3R)-4-benzoxy-3-[(4S)-2,2-dimethyl-5-(phenylthio)-1,3-dioxolan-4-yl]butyric acid Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)SC2=CC=CC=C2)C(CC(=O)O)COCC3=CC=CC=C3)C

Isomeric SMILES

CC1(O[C@H](C(O1)SC2=CC=CC=C2)[C@H](CC(=O)O)COCC3=CC=CC=C3)C

InChI

InChI=1S/C22H26O5S/c1-22(2)26-20(21(27-22)28-18-11-7-4-8-12-18)17(13-19(23)24)15-25-14-16-9-5-3-6-10-16/h3-12,17,20-21H,13-15H2,1-2H3,(H,23,24)/t17-,20+,21?/m1/s1