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

Systemtic Name: [1-(2-nitrophenyl)sulfanylnaphthalen-2-yl] 4-tert-butylbenzoate Openeye Name: [1-(2-nitrophenyl)sulfanyl-2-naphthyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-[(2-nitrophenyl)thio]-2-naphthalenyl] ester IUPAC Name: [1-(2-nitrophenyl)sulfanylnaphthalen-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [1-[(2-nitrophenyl)thio]-2-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=C(C3=CC=CC=C3C=C2)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)SC4=CC=CC=C4[N+](=O)[O-]

InChI

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