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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(SC3=CC=CC=C3C2=O)C(=O)CCC(=O)[O-].C1=CC=C2C(=C1)C(SC3=CC=CC=C3C2=O)C(=O)CCC(=O)[O-].[Cu+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(SC3=CC=CC=C3C2=O)C(=O)CCC(=O)[O-].C1=CC=C2C(=C1)C(SC3=CC=CC=C3C2=O)C(=O)CCC(=O)[O-].[Cu+2]

InChI

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