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

Systemtic Name: 4-[[2-methoxy-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-methoxy-phenyl]sulfonylamino]benzoic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H15NO7S/c1-25-14-10-11(3-9-16(19)20)2-8-15(14)26(23,24)18-13-6-4-12(5-7-13)17(21)22/h2-10,18H,1H3,(H,19,20)(H,21,22)/b9-3+