4-[[2-methoxy-5-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[2-methoxy-5-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[5-(3-hydroxy-3-oxo-prop-1-enyl)-2-methoxy-phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2-methoxyphenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2-methoxyphenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[5-(3-hydroxy-3-keto-prop-1-enyl)-2-methoxy-phenyl]sulfonylamino]butyric acid Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C14H17NO7S/c1-22-11-6-4-10(5-7-14(18)19)9-12(11)23(20,21)15-8-2-3-13(16)17/h4-7,9,15H,2-3,8H2,1H3,(H,16,17)(H,18,19)