(E)-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(6-oxidanyl-2-phenyl-chromen-4-ylidene)azanium perchlorate

Systemtic Name: (E)-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(6-oxidanyl-2-phenyl-chromen-4-ylidene)azanium perchlorate Openeye Name: (E)-(6-hydroxy-2-phenyl-chromen-4-ylidene)-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ammonium perchlorate CAS Name: (E)-(6-hydroxy-2-phenyl-1-benzopyran-4-ylidene)-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ammonium perchlorate IUPAC Name: (E)-(6-hydroxy-2-phenylchromen-4-ylidene)-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azanium perchlorate Traditional Name: (E)-(6-hydroxy-2-phenyl-chromen-4-ylidene)-(6-mesyl-1,3-benzothiazol-2-yl)ammonium perchlorate Formula: C23H17ClN2O8S2 MolecularWeight: 548.97268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)[NH+]=C3C=C(OC4=C3C=C(C=C4)O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)/[NH+]=C/3\C=C(OC4=C3C=C(C=C4)O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H16N2O4S2.ClHO4/c1-31(27,28)16-8-9-18-22(12-16)30-23(24-18)25-19-13-21(14-5-3-2-4-6-14)29-20-10-7-15(26)11-17(19)20;2-1(3,4)5/h2-13,26H,1H3;(H,2,3,4,5)/b25-19+;