2-(1-naphthalen-1-yl-2-nitro-ethyl)sulfanylbenzoic acid

Systemtic Name: 2-(1-naphthalen-1-yl-2-nitro-ethyl)sulfanylbenzoic acid Openeye Name: 2-[1-(1-naphthyl)-2-nitro-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(1-naphthalenyl)-2-nitroethyl]thio]benzoic acid IUPAC Name: 2-(1-naphthalen-1-yl-2-nitroethyl)sulfanylbenzoic acid Traditional Name: 2-[[1-(1-naphthyl)-2-nitro-ethyl]thio]benzoic acid Formula: C19H15NO4S MolecularWeight: 353.3917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(C[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(C[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H15NO4S/c21-19(22)16-9-3-4-11-17(16)25-18(12-20(23)24)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18H,12H2,(H,21,22)