3-[ethyl-(4-phenylphenyl)carbamoyl]-6-(triphenylmethyl)sulfanyl-hexanoic acid

Systemtic Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-(triphenylmethyl)sulfanyl-hexanoic acid Openeye Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-tritylsulfanyl-hexanoic acid CAS Name: 3-[(N-ethyl-4-phenylanilino)-oxomethyl]-6-[(triphenylmethyl)thio]hexanoic acid IUPAC Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-tritylsulfanylhexanoic acid Traditional Name: 3-[ethyl-(4-phenylphenyl)carbamoyl]-6-(tritylthio)hexanoic acid Formula: C40H39NO3S MolecularWeight: 613.80756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CCCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CCCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C40H39NO3S/c1-2-41(37-27-25-32(26-28-37)31-16-7-3-8-17-31)39(44)33(30-38(42)43)18-15-29-45-40(34-19-9-4-10-20-34,35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-14,16-17,19-28,33H,2,15,18,29-30H2,1H3,(H,42,43)