zinc (3Z)-3-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide

Systemtic Name: zinc (3Z)-3-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide Openeye Name: zinc (3Z)-3-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methylene]-1,2-benzothiazol-2-ide 1,1-dioxide CAS Name: zinc (3Z)-3-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide IUPAC Name: zinc (3Z)-3-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methylidene]-1,2-benzothiazol-2-ide 1,1-dioxide Traditional Name: zinc (3Z)-3-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methylene]-1,2-benzothiazol-2-ide 1,1-dioxide Formula: C34H26N4O6S2Zn MolecularWeight: 716.13244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C=C3C4=CC=CC=C4S(=O)(=O)[N-]3.CC1=CC2=C(C=C1C)OC(=N2)C=C3C4=CC=CC=C4S(=O)(=O)[N-]3.[Zn+2]

Isomeric SMILES

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

InChI

InChI=1S/2C17H13N2O3S.Zn/c2*1-10-7-14-15(8-11(10)2)22-17(18-14)9-13-12-5-3-4-6-16(12)23(20,21)19-13;/h2*3-9H,1-2H3;/q2*-1;+2/b2*13-9-;