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

Systemtic Name: 4-[[2,3-dimethoxy-5-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[5-(3-hydroxy-3-oxo-prop-1-enyl)-2,3-dimethoxy-phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2,3-dimethoxyphenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2,3-dimethoxyphenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[5-(3-hydroxy-3-keto-prop-1-enyl)-2,3-dimethoxy-phenyl]sulfonylamino]butyric acid Formula: C15H19NO8S MolecularWeight: 373.37826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO8S/c1-23-11-8-10(5-6-14(19)20)9-12(15(11)24-2)25(21,22)16-7-3-4-13(17)18/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)