(4-tert-butylphenyl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (4-tert-butylbenzyl) ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H25NO4S/c1-17-5-12-21(13-6-17)31-23-14-9-19(15-22(23)26(28)29)24(27)30-16-18-7-10-20(11-8-18)25(2,3)4/h5-15H,16H2,1-4H3