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

Systemtic Name: 4-[[2-methyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-methyl-phenyl]sulfonylamino]benzoic acid Formula: C17H15NO6S MolecularWeight: 361.3691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H15NO6S/c1-11-2-3-12(4-9-16(19)20)10-15(11)25(23,24)18-14-7-5-13(6-8-14)17(21)22/h2-10,18H,1H3,(H,19,20)(H,21,22)/b9-4+