(4E)-3,6,6-trimethyl-4-(phenylsulfonylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: (4E)-3,6,6-trimethyl-4-(phenylsulfonylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: (4E)-4-(benzenesulfonylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid CAS Name: (4E)-4-(benzenesulfonylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid IUPAC Name: (4E)-4-(benzenesulfonylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: (4E)-4-(besylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNS(=O)(=O)C3=CC=CC=C3)CC(C2)(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NS(=O)(=O)C3=CC=CC=C3)/CC(C2)(C)C)C(=O)O

InChI

InChI=1S/C18H20N2O5S/c1-11-15-13(19-20-26(23,24)12-7-5-4-6-8-12)9-18(2,3)10-14(15)25-16(11)17(21)22/h4-8,20H,9-10H2,1-3H3,(H,21,22)/b19-13+