(2E)-2-[5,6-bis(bromanyl)-2-oxidanylidene-acenaphthylen-1-ylidene]-6-ethoxy-1-benzothiophen-3-one

Systemtic Name: (2E)-2-[5,6-bis(bromanyl)-2-oxidanylidene-acenaphthylen-1-ylidene]-6-ethoxy-1-benzothiophen-3-one Openeye Name: (2E)-2-(5,6-dibromo-2-oxo-acenaphthylen-1-ylidene)-6-ethoxy-benzothiophen-3-one CAS Name: (2E)-2-(5,6-dibromo-2-oxo-1-acenaphthylenylidene)-6-ethoxy-1-benzothiophen-3-one IUPAC Name: (2E)-2-(5,6-dibromo-2-oxoacenaphthylen-1-ylidene)-6-ethoxy-1-benzothiophen-3-one Traditional Name: (2E)-2-(5,6-dibromo-2-keto-acenaphthen-1-ylidene)-6-ethoxy-benzothiophen-3-one Formula: C22H12Br2O3S MolecularWeight: 516.20188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=C3C4=C5C(=CC=C(C5=C(C=C4)Br)Br)C3=O)S2

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)/C(=C\3/C4=C5C(=CC=C(C5=C(C=C4)Br)Br)C3=O)/S2

InChI

InChI=1S/C22H12Br2O3S/c1-2-27-10-3-4-11-16(9-10)28-22(21(11)26)18-12-5-7-14(23)19-15(24)8-6-13(17(12)19)20(18)25/h3-9H,2H2,1H3/b22-18+