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

Systemtic Name: (2Z)-2-(6-bromanyl-5-chloranyl-4,7-dinitro-2-oxidanylidene-acenaphthylen-1-ylidene)-6-chloranyl-4-methyl-1-benzothiophen-3-one Openeye Name: (2Z)-2-(6-bromo-5-chloro-4,7-dinitro-2-oxo-acenaphthylen-1-ylidene)-6-chloro-4-methyl-benzothiophen-3-one CAS Name: (2Z)-2-(6-bromo-5-chloro-4,7-dinitro-2-oxo-1-acenaphthylenylidene)-6-chloro-4-methyl-1-benzothiophen-3-one IUPAC Name: (2Z)-2-(6-bromo-5-chloro-4,7-dinitro-2-oxoacenaphthylen-1-ylidene)-6-chloro-4-methyl-1-benzothiophen-3-one Traditional Name: (2Z)-2-(6-bromo-5-chloro-2-keto-4,7-dinitro-acenaphthen-1-ylidene)-6-chloro-4-methyl-benzothiophen-3-one Formula: C21H7BrCl2N2O6S MolecularWeight: 566.16508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=C3C4=CC(=C(C5=C4C(=CC(=C5Cl)[N+](=O)[O-])C3=O)Br)[N+](=O)[O-])S2)Cl

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)/C(=C/3\C4=CC(=C(C5=C4C(=CC(=C5Cl)[N+](=O)[O-])C3=O)Br)[N+](=O)[O-])/S2)Cl

InChI

InChI=1S/C21H7BrCl2N2O6S/c1-6-2-7(23)3-12-13(6)20(28)21(33-12)15-8-4-10(25(29)30)17(22)16-14(8)9(19(15)27)5-11(18(16)24)26(31)32/h2-5H,1H3/b21-15-