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

Systemtic Name: 4-[[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonyl-prop-2-enyl-amino]benzoic acid Openeye Name: 4-[allyl-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]sulfonyl-amino]benzoic acid CAS Name: 4-[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]sulfonyl-prop-2-enylamino]benzoic acid IUPAC Name: 4-[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]sulfonyl-prop-2-enylamino]benzoic acid Traditional Name: 4-[allyl-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]sulfonyl-amino]benzoic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

C=CCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C19H17NO6S/c1-2-13-20(16-8-6-15(7-9-16)19(23)24)27(25,26)17-10-3-14(4-11-17)5-12-18(21)22/h2-12H,1,13H2,(H,21,22)(H,23,24)/b12-5+