[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl 4-tert-butylbenzoate

Systemtic Name: [2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl 4-tert-butylbenzoate Openeye Name: [5-nitro-2-(p-tolylsulfanyl)phenyl]methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl ester IUPAC Name: [2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [5-nitro-2-(p-tolylthio)benzyl] 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)[N+](=O)[O-])COC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

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