4-[2-[[(Z)-2-fluoranyl-4-sulfo-but-2-enoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[[(Z)-2-fluoranyl-4-sulfo-but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(Z)-2-fluoro-4-sulfo-but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(Z)-2-fluoro-1-oxo-4-sulfobut-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(Z)-2-fluoro-4-sulfobut-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(Z)-2-fluoro-4-sulfo-but-2-enoyl]amino]phenoxy]butyric acid Formula: C14H16FNO7S MolecularWeight: 361.342743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(=CCS(=O)(=O)O)F)OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)/C(=C/CS(=O)(=O)O)/F)OCCCC(=O)O

InChI

InChI=1S/C14H16FNO7S/c15-10(7-9-24(20,21)22)14(19)16-11-4-1-2-5-12(11)23-8-3-6-13(17)18/h1-2,4-5,7H,3,6,8-9H2,(H,16,19)(H,17,18)(H,20,21,22)/b10-7-