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

Systemtic Name: 2-(2-nitrooxyethylsulfonyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 2-(2-nitrooxyethylsulfonyl)ethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 2-(2-nitrooxyethylsulfonyl)ethyl ester IUPAC Name: 2-(2-nitrooxyethylsulfonyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 2-(2-nitrooxyethylsulfonyl)ethyl ester Formula: C18H21NO8S MolecularWeight: 411.42624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO8S/c1-13(14-3-4-16-12-17(25-2)6-5-15(16)11-14)18(20)26-7-9-28(23,24)10-8-27-19(21)22/h3-6,11-13H,7-10H2,1-2H3/t13-/m0/s1