4-[(6E)-2-(2,4-dinitrophenyl)sulfanyl-6-(phenylmethylidene)cyclohexylidene]morpholin-4-ium

Systemtic Name: 4-[(6E)-2-(2,4-dinitrophenyl)sulfanyl-6-(phenylmethylidene)cyclohexylidene]morpholin-4-ium Openeye Name: 4-[(2E)-2-benzylidene-6-(2,4-dinitrophenyl)sulfanyl-cyclohexylidene]morpholin-4-ium CAS Name: 4-[(6E)-2-[(2,4-dinitrophenyl)thio]-6-(phenylmethylene)cyclohexylidene]morpholin-4-ium IUPAC Name: 4-[(2E)-2-benzylidene-6-(2,4-dinitrophenyl)sulfanylcyclohexylidene]morpholin-4-ium Traditional Name: 4-[(2E)-2-benzal-6-[(2,4-dinitrophenyl)thio]cyclohexylidene]morpholin-4-ium Formula: C23H24N3O5S+ MolecularWeight: 454.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=[N+]2CCOCC2)C(=CC3=CC=CC=C3)C1)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(C(=[N+]2CCOCC2)/C(=C/C3=CC=CC=C3)/C1)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H24N3O5S/c27-25(28)19-9-10-21(20(16-19)26(29)30)32-22-8-4-7-18(15-17-5-2-1-3-6-17)23(22)24-11-13-31-14-12-24/h1-3,5-6,9-10,15-16,22H,4,7-8,11-14H2/q+1/b18-15+