naphthalen-2-yl 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate

Systemtic Name: naphthalen-2-yl 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Openeye Name: 2-naphthyl 3-nitro-4-(tetrahydrofuran-2-ylmethylsulfanyl)benzoate CAS Name: 3-nitro-4-(2-oxolanylmethylthio)benzoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Traditional Name: 3-nitro-4-(tetrahydrofurfurylthio)benzoic acid 2-naphthyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO5S/c24-22(28-18-9-7-15-4-1-2-5-16(15)12-18)17-8-10-21(20(13-17)23(25)26)29-14-19-6-3-11-27-19/h1-2,4-5,7-10,12-13,19H,3,6,11,14H2