(2,6-ditert-butyl-4-methoxy-phenyl) 2-nitro-4-phenylsulfanyl-butanoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 2-nitro-4-phenylsulfanyl-butanoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 2-nitro-4-phenylsulfanyl-butanoate CAS Name: 2-nitro-4-(phenylthio)butanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 2-nitro-4-phenylsulfanylbutanoate Traditional Name: 2-nitro-4-(phenylthio)butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCSC2=CC=CC=C2)[N+](=O)[O-])C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCSC2=CC=CC=C2)[N+](=O)[O-])C(C)(C)C)OC

InChI

InChI=1S/C25H33NO5S/c1-24(2,3)19-15-17(30-7)16-20(25(4,5)6)22(19)31-23(27)21(26(28)29)13-14-32-18-11-9-8-10-12-18/h8-12,15-16,21H,13-14H2,1-7H3