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

Systemtic Name: 4-[[2-methyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[5-(3-hydroxy-3-oxo-prop-1-enyl)-2-methyl-phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2-methylphenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[5-(3-hydroxy-3-oxoprop-1-enyl)-2-methylphenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[5-(3-hydroxy-3-keto-prop-1-enyl)-2-methyl-phenyl]sulfonylamino]butyric acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C14H17NO6S/c1-10-4-5-11(6-7-14(18)19)9-12(10)22(20,21)15-8-2-3-13(16)17/h4-7,9,15H,2-3,8H2,1H3,(H,16,17)(H,18,19)