(2E)-2-(6-bromanyl-5-chloranyl-4,7-dinitro-2-oxidanylidene-acenaphthylen-1-ylidene)-6-ethoxy-1-benzothiophen-3-one

Systemtic Name: (2E)-2-(6-bromanyl-5-chloranyl-4,7-dinitro-2-oxidanylidene-acenaphthylen-1-ylidene)-6-ethoxy-1-benzothiophen-3-one Openeye Name: (2E)-2-(6-bromo-5-chloro-4,7-dinitro-2-oxo-acenaphthylen-1-ylidene)-6-ethoxy-benzothiophen-3-one CAS Name: (2E)-2-(6-bromo-5-chloro-4,7-dinitro-2-oxo-1-acenaphthylenylidene)-6-ethoxy-1-benzothiophen-3-one IUPAC Name: (2E)-2-(6-bromo-5-chloro-4,7-dinitro-2-oxoacenaphthylen-1-ylidene)-6-ethoxy-1-benzothiophen-3-one Traditional Name: (2E)-2-(6-bromo-5-chloro-2-keto-4,7-dinitro-acenaphthen-1-ylidene)-6-ethoxy-benzothiophen-3-one Formula: C22H10BrClN2O7S MolecularWeight: 561.746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=C3C4=CC(=C(C5=C4C(=CC(=C5Cl)[N+](=O)[O-])C3=O)Br)[N+](=O)[O-])S2

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)/C(=C\3/C4=CC(=C(C5=C4C(=CC(=C5Cl)[N+](=O)[O-])C3=O)Br)[N+](=O)[O-])/S2

InChI

InChI=1S/C22H10BrClN2O7S/c1-2-33-8-3-4-9-14(5-8)34-22(21(9)28)16-10-6-12(25(29)30)18(23)17-15(10)11(20(16)27)7-13(19(17)24)26(31)32/h3-7H,2H2,1H3/b22-16+