2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoic acid

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoic acid Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoic acid CAS Name: 2-(4-mercapto-3-nitrophenyl)-2-propenoic acid IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)prop-2-enoic acid Traditional Name: 2-(4-mercapto-3-nitro-phenyl)acrylic acid Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO4S/c1-5(9(11)12)6-2-3-8(15)7(4-6)10(13)14/h2-4,15H,1H2,(H,11,12)