2-[2-fluoranyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-(4-nitrophenyl)acryloyl]phenyl]thio]acetic acid Formula: C17H12FNO5S MolecularWeight: 361.344283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12FNO5S/c18-14-9-12(4-8-16(14)25-10-17(21)22)15(20)7-3-11-1-5-13(6-2-11)19(23)24/h1-9H,10H2,(H,21,22)/b7-3+