(2S)-3-(4-hydroxyphenyl)-2-[(2-nitrophenyl)sulfanylazaniumyl]propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-nitrophenyl)sulfanylazaniumyl]propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-nitrophenyl)sulfanylammonio]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2-nitrophenyl)thio]ammonio]propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-nitrophenyl)sulfanylazaniumyl]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2-nitrophenyl)thio]ammonio]propionate Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S[NH2+]C(CC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S[NH2+][C@@H](CC2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c18-11-7-5-10(6-8-11)9-12(15(19)20)16-23-14-4-2-1-3-13(14)17(21)22/h1-8,12,16,18H,9H2,(H,19,20)/t12-/m0/s1