[(2,3-dimethyl-1-benzofuran-5-yl)-oxidanyl-methylidene]oxidanium; 4-methylbenzenesulfonate

Systemtic Name: [(2,3-dimethyl-1-benzofuran-5-yl)-oxidanyl-methylidene]oxidanium; 4-methylbenzenesulfonate Openeye Name: [(2,3-dimethylbenzofuran-5-yl)-hydroxy-methylene]oxonium; 4-methylbenzenesulfonate CAS Name: [(2,3-dimethyl-5-benzofuranyl)-hydroxymethylidene]oxonium; 4-methylbenzenesulfonate IUPAC Name: [(2,3-dimethyl-1-benzofuran-5-yl)-hydroxymethylidene]oxidanium; 4-methylbenzenesulfonate Traditional Name: [(2,3-dimethylbenzofuran-5-yl)-hydroxy-methylene]oxonium tosylate Formula: C18H18O6S MolecularWeight: 362.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(OC2=C1C=C(C=C2)C(=[OH+])O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(OC2=C1C=C(C=C2)C(=[OH+])O)C

InChI

InChI=1S/C11H10O3.C7H8O3S/c1-6-7(2)14-10-4-3-8(11(12)13)5-9(6)10;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3,(H,12,13);2-5H,1H3,(H,8,9,10)