4-methylpentane-2,3-dione; [(E)-[(2E)-2-(4-methylphenyl)sulfonyloxyiminoethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: 4-methylpentane-2,3-dione; [(E)-[(2E)-2-(4-methylphenyl)sulfonyloxyiminoethylidene]amino] 4-methylbenzenesulfonate Openeye Name: 4-methylpentane-2,3-dione; [(E)-[(2E)-2-(p-tolylsulfonyloxyimino)ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[(2E)-2-(4-methylphenyl)sulfonyloxyiminoethylidene]amino] ester; 4-methylpentane-2,3-dione IUPAC Name: 4-methylpentane-2,3-dione; [(E)-[(2E)-2-(4-methylphenyl)sulfonyloxyiminoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[(2E)-2-tosyloximinoethylidene]amino] ester; 4-methylpentane-2,3-dione Formula: C22H26N2O8S2 MolecularWeight: 510.58044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=CC=NOS(=O)(=O)C2=CC=C(C=C2)C.CC(C)C(=O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/C=N/OS(=O)(=O)C2=CC=C(C=C2)C.CC(C(=O)C(=O)C)C

InChI

InChI=1S/C16H16N2O6S2.C6H10O2/c1-13-3-7-15(8-4-13)25(19,20)23-17-11-12-18-24-26(21,22)16-9-5-14(2)6-10-16;1-4(2)6(8)5(3)7/h3-12H,1-2H3;4H,1-3H3/b17-11+,18-12+;