2-(2-nitrooxyethylsulfinyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 2-(2-nitrooxyethylsulfinyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 2-(2-nitrooxyethylsulfinyl)ethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 2-(2-nitrooxyethylsulfinyl)ethyl ester IUPAC Name: 2-(2-nitrooxyethylsulfinyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 2-(2-nitrooxyethylsulfinyl)ethyl ester Formula: C18H21NO7S MolecularWeight: 395.42684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCS(=O)CCO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCS(=O)CCO[N+](=O)[O-]

InChI

InChI=1S/C18H21NO7S/c1-13(18(20)25-7-9-27(23)10-8-26-19(21)22)14-3-4-16-12-17(24-2)6-5-15(16)11-14/h3-6,11-13H,7-10H2,1-2H3/t13-,27?/m0/s1