3-[3-(3,5-dimethyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(3,5-dimethyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(2-benzyloxy-3,5-dimethyl-phenyl)-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(3,5-dimethyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoic acid IUPAC Name: 3-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(2-benzoxy-3,5-dimethyl-phenyl)-2-hydroxy-propyl]thio]propionic acid Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(CSCCC(=O)O)O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(CSCCC(=O)O)O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C21H26O4S/c1-15-10-16(2)21(25-13-17-6-4-3-5-7-17)18(11-15)12-19(22)14-26-9-8-20(23)24/h3-7,10-11,19,22H,8-9,12-14H2,1-2H3,(H,23,24)