copper 4-oxidanylidene-4-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)butanoate

Systemtic Name: copper 4-oxidanylidene-4-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)butanoate Openeye Name: copper 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate CAS Name: copper 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate IUPAC Name: copper 4-oxo-4-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)butanoate Traditional Name: cupric 4-keto-4-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)butyrate Formula: C36H26CuO8S2 MolecularWeight: 714.26284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)[O-].C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)[O-].[Cu+2]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)[O-].C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)C(=O)CCC(=O)[O-].[Cu+2]

InChI

InChI=1S/2C18H14O4S.Cu/c2*19-15(7-8-17(20)21)11-5-6-14-16(9-11)23-10-12-3-1-2-4-13(12)18(14)22;/h2*1-6,9H,7-8,10H2,(H,20,21);/q;;+2/p-2