(2-nitrophenyl) 4-methyl-2-[2-(triphenylmethyl)sulfanylethanoyl]pentanoate

Systemtic Name: (2-nitrophenyl) 4-methyl-2-[2-(triphenylmethyl)sulfanylethanoyl]pentanoate Openeye Name: (2-nitrophenyl) 4-methyl-2-(2-tritylsulfanylacetyl)pentanoate CAS Name: 4-methyl-2-[1-oxo-2-[(triphenylmethyl)thio]ethyl]pentanoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-methyl-2-(2-tritylsulfanylacetyl)pentanoate Traditional Name: 4-methyl-2-[2-(tritylthio)acetyl]valeric acid (2-nitrophenyl) ester Formula: C33H31NO5S MolecularWeight: 553.66794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C33H31NO5S/c1-24(2)22-28(32(36)39-31-21-13-12-20-29(31)34(37)38)30(35)23-40-33(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-21,24,28H,22-23H2,1-2H3