2-(2-methylpropylsulfanyl)-2-(3-phenoxyphenyl)ethanoic acid

Systemtic Name: 2-(2-methylpropylsulfanyl)-2-(3-phenoxyphenyl)ethanoic acid Openeye Name: 2-isobutylsulfanyl-2-(3-phenoxyphenyl)acetic acid CAS Name: 2-(2-methylpropylthio)-2-(3-phenoxyphenyl)acetic acid IUPAC Name: 2-(2-methylpropylsulfanyl)-2-(3-phenoxyphenyl)acetic acid Traditional Name: 2-(isobutylthio)-2-(3-phenoxyphenyl)acetic acid Formula: C18H20O3S MolecularWeight: 316.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CSC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20O3S/c1-13(2)12-22-17(18(19)20)14-7-6-10-16(11-14)21-15-8-4-3-5-9-15/h3-11,13,17H,12H2,1-2H3,(H,19,20)