2-(3-nitro-5-sulfo-phenyl)ethanoic acid

Systemtic Name: 2-(3-nitro-5-sulfo-phenyl)ethanoic acid Openeye Name: 2-(3-nitro-5-sulfo-phenyl)acetic acid CAS Name: 2-(3-nitro-5-sulfophenyl)acetic acid IUPAC Name: 2-(3-nitro-5-sulfophenyl)acetic acid Traditional Name: 2-(3-nitro-5-sulfo-phenyl)acetic acid Formula: C8H7NO7S MolecularWeight: 261.20868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO7S/c10-8(11)3-5-1-6(9(12)13)4-7(2-5)17(14,15)16/h1-2,4H,3H2,(H,10,11)(H,14,15,16)