2-[3,5-dimethoxy-4-[[2-(triphenylmethyl)sulfanylethylamino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3,5-dimethoxy-4-[[2-(triphenylmethyl)sulfanylethylamino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3,5-dimethoxy-4-[(2-tritylsulfanylethylamino)methyl]phenoxy]acetic acid CAS Name: 2-[3,5-dimethoxy-4-[[2-[(triphenylmethyl)thio]ethylamino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3,5-dimethoxy-4-[(2-tritylsulfanylethylamino)methyl]phenoxy]acetic acid Traditional Name: 2-[3,5-dimethoxy-4-[[2-(tritylthio)ethylamino]methyl]phenoxy]acetic acid Formula: C32H33NO5S MolecularWeight: 543.67312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1CNCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)OCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1CNCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)OCC(=O)O

InChI

InChI=1S/C32H33NO5S/c1-36-29-20-27(38-23-31(34)35)21-30(37-2)28(29)22-33-18-19-39-32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,20-21,33H,18-19,22-23H2,1-2H3,(H,34,35)