zinc 4-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanyl-benzoate

Systemtic Name: zinc 4-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanyl-benzoate Openeye Name: zinc 2-hydroxy-4-[3-(p-tolylsulfonyl)propoxy]benzoate CAS Name: zinc 2-hydroxy-4-[3-(4-methylphenyl)sulfonylpropoxy]benzoate IUPAC Name: zinc 2-hydroxy-4-[3-(4-methylphenyl)sulfonylpropoxy]benzoate Traditional Name: zinc 2-hydroxy-4-(3-tosylpropoxy)benzoate Formula: C34H34O12S2Zn MolecularWeight: 764.16556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)[O-])O.CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)[O-])O.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)[O-])O.CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)[O-])O.[Zn+2]

InChI

InChI=1S/2C17H18O6S.Zn/c2*1-12-3-6-14(7-4-12)24(21,22)10-2-9-23-13-5-8-15(17(19)20)16(18)11-13;/h2*3-8,11,18H,2,9-10H2,1H3,(H,19,20);/q;;+2/p-2