zinc 2-oxidanylidene-4-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)butanoate

Systemtic Name: zinc 2-oxidanylidene-4-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)butanoate Openeye Name: zinc 2-oxo-4-(1,1,2,3,3-pentamethylindan-5-yl)butanoate CAS Name: zinc 2-oxo-4-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)butanoate IUPAC Name: zinc 2-oxo-4-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)butanoate Traditional Name: zinc 2-keto-4-(1,1,2,3,3-pentamethylindan-5-yl)butyrate Formula: C36H46O6Zn MolecularWeight: 640.15584

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C1(C)C)C=C(C=C2)CCC(=O)C(=O)[O-])(C)C.CC1C(C2=C(C1(C)C)C=C(C=C2)CCC(=O)C(=O)[O-])(C)C.[Zn+2]

Isomeric SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)CCC(=O)C(=O)[O-])(C)C.CC1C(C2=C(C1(C)C)C=C(C=C2)CCC(=O)C(=O)[O-])(C)C.[Zn+2]

InChI

InChI=1S/2C18H24O3.Zn/c2*1-11-17(2,3)13-8-6-12(7-9-15(19)16(20)21)10-14(13)18(11,4)5;/h2*6,8,10-11H,7,9H2,1-5H3,(H,20,21);/q;;+2/p-2