[ethoxy-(3-methyl-3-nitrososulfanyl-butoxy)phosphoryl]oxymethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [ethoxy-(3-methyl-3-nitrososulfanyl-butoxy)phosphoryl]oxymethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [ethoxy-(3-methyl-3-nitrososulfanyl-butoxy)phosphoryl]oxymethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [ethoxy-[3-methyl-3-(nitrosothio)butoxy]phosphoryl]oxymethyl ester IUPAC Name: [ethoxy-(3-methyl-3-nitrososulfanylbutoxy)phosphoryl]oxymethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [ethoxy-[3-methyl-3-(nitrosothio)butoxy]phosphoryl]oxymethyl ester Formula: C22H30NO8PS MolecularWeight: 499.514261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCCC(C)(C)SN=O)OCOC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC

Isomeric SMILES

CCOP(=O)(OCCC(C)(C)SN=O)OCOC(=O)[C@@H](C)C1=CC2=C(C=C1)C=C(C=C2)OC

InChI

InChI=1S/C22H30NO8PS/c1-6-29-32(26,30-12-11-22(3,4)33-23-25)31-15-28-21(24)16(2)17-7-8-19-14-20(27-5)10-9-18(19)13-17/h7-10,13-14,16H,6,11-12,15H2,1-5H3/t16-,32?/m0/s1