2-[(1R)-1-naphthalen-2-yl-2-nitro-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[(1R)-1-naphthalen-2-yl-2-nitro-ethyl]sulfanylbenzoic acid Openeye Name: 2-[(1R)-1-(2-naphthyl)-2-nitro-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(1R)-1-(2-naphthalenyl)-2-nitroethyl]thio]benzoic acid IUPAC Name: 2-[(1R)-1-naphthalen-2-yl-2-nitroethyl]sulfanylbenzoic acid Traditional Name: 2-[[(1R)-1-(2-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=C(C=CC2=C1)C(C[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)[C@H](C[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H15NO4S/c21-19(22)16-7-3-4-8-17(16)25-18(12-20(23)24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18H,12H2,(H,21,22)/t18-/m0/s1