dizinc (3Z)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)methylidene]isoindol-1-olate dichloride

Systemtic Name: dizinc (3Z)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)methylidene]isoindol-1-olate dichloride Openeye Name: dizinc (3Z)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)methylene]isoindol-1-olate dichloride CAS Name: dizinc (3Z)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)methylidene]-1-isoindololate dichloride IUPAC Name: dizinc (3Z)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)methylidene]isoindol-1-olate dichloride Traditional Name: dizinc (3Z)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)methylene]isoindol-1-olate dichloride Formula: C36H26Cl2N4O2S2Zn2 MolecularWeight: 812.47124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=C3C4=CC=CC=C4C(=N3)[O-].CC1=CC2=C(C=C1C)SC(=N2)C=C3C4=CC=CC=C4C(=N3)[O-].[Cl-].[Cl-].[Zn+2].[Zn+2]

Isomeric SMILES

CC1=CC2=C(SC(=N2)/C=C/3\N=C(C4=CC=CC=C34)[O-])C=C1C.CC1=CC2=C(SC(=N2)/C=C/3\N=C(C4=CC=CC=C34)[O-])C=C1C.[Cl-].[Cl-].[Zn+2].[Zn+2]

InChI

InChI=1S/2C18H14N2OS.2ClH.2Zn/c2*1-10-7-15-16(8-11(10)2)22-17(19-15)9-14-12-5-3-4-6-13(12)18(21)20-14;;;;/h2*3-9H,1-2H3,(H,20,21);2*1H;;/q;;;;2*+2/p-4/b2*14-9-;;;;