[4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 4-tert-butylbenzoate

Systemtic Name: [4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 4-tert-butylbenzoate Openeye Name: [4-(2-nitrophenyl)sulfanyl-1-naphthyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(2-nitrophenyl)thio]-1-naphthalenyl] ester IUPAC Name: [4-(2-nitrophenyl)sulfanylnaphthalen-1-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(2-nitrophenyl)thio]-1-naphthyl] ester Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C3=CC=CC=C32)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C3=CC=CC=C32)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H23NO4S/c1-27(2,3)19-14-12-18(13-15-19)26(29)32-23-16-17-24(21-9-5-4-8-20(21)23)33-25-11-7-6-10-22(25)28(30)31/h4-17H,1-3H3