[(4E)-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxidanylidene-naphthalen-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4E)-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxidanylidene-naphthalen-2-yl] 4-methylbenzenesulfonate Openeye Name: [(4E)-4-(3,4-dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4E)-4-[(3,4-dimethyl-5-isoxazolyl)imino]-1-oxo-2-naphthalenyl] ester IUPAC Name: [(4E)-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxonaphthalen-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4E)-4-(3,4-dimethylisoxazol-5-yl)imino-1-keto-2-naphthyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC3=C(C(=NO3)C)C)C4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C/C(=N\C3=C(C(=NO3)C)C)/C4=CC=CC=C4C2=O

InChI

InChI=1S/C22H18N2O5S/c1-13-8-10-16(11-9-13)30(26,27)29-20-12-19(23-22-14(2)15(3)24-28-22)17-6-4-5-7-18(17)21(20)25/h4-12H,1-3H3/b23-19+