2-[(3-tert-butyl-5-methoxycarbonyl-phenyl)methyl]-2-[3-(triphenylmethyl)sulfanylpropyl]propanedioic acid

Systemtic Name: 2-[(3-tert-butyl-5-methoxycarbonyl-phenyl)methyl]-2-[3-(triphenylmethyl)sulfanylpropyl]propanedioic acid Openeye Name: 2-[(3-tert-butyl-5-methoxycarbonyl-phenyl)methyl]-2-(3-tritylsulfanylpropyl)propanedioic acid CAS Name: 2-[(3-tert-butyl-5-methoxycarbonylphenyl)methyl]-2-[3-[(triphenylmethyl)thio]propyl]propanedioic acid IUPAC Name: 2-[(3-tert-butyl-5-methoxycarbonylphenyl)methyl]-2-(3-tritylsulfanylpropyl)propanedioic acid Traditional Name: 2-(3-tert-butyl-5-carbomethoxy-benzyl)-2-[3-(tritylthio)propyl]malonic acid Formula: C38H40O6S MolecularWeight: 624.7856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC(CCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)O)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC(CCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)O)C(=O)O)C(=O)OC

InChI

InChI=1S/C38H40O6S/c1-36(2,3)32-24-27(23-28(25-32)33(39)44-4)26-37(34(40)41,35(42)43)21-14-22-45-38(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,23-25H,14,21-22,26H2,1-4H3,(H,40,41)(H,42,43)