2-[(3-tert-butyl-5-methoxycarbonyl-phenyl)methyl]-5-(triphenylmethyl)sulfanyl-pentanoic acid

Systemtic Name: 2-[(3-tert-butyl-5-methoxycarbonyl-phenyl)methyl]-5-(triphenylmethyl)sulfanyl-pentanoic acid Openeye Name: 2-[(3-tert-butyl-5-methoxycarbonyl-phenyl)methyl]-5-tritylsulfanyl-pentanoic acid CAS Name: 2-[(3-tert-butyl-5-methoxycarbonylphenyl)methyl]-5-[(triphenylmethyl)thio]pentanoic acid IUPAC Name: 2-[(3-tert-butyl-5-methoxycarbonylphenyl)methyl]-5-tritylsulfanylpentanoic acid Traditional Name: 2-(3-tert-butyl-5-carbomethoxy-benzyl)-5-(tritylthio)valeric acid Formula: C37H40O4S MolecularWeight: 580.7761

Click to see the large picture

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)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)OC

InChI

InChI=1S/C37H40O4S/c1-36(2,3)33-25-27(24-29(26-33)35(40)41-4)23-28(34(38)39)15-14-22-42-37(30-16-8-5-9-17-30,31-18-10-6-11-19-31)32-20-12-7-13-21-32/h5-13,16-21,24-26,28H,14-15,22-23H2,1-4H3,(H,38,39)