calcium; 1,4-bis(ethenyl)benzene; 4-ethenylbenzenesulfonate

Systemtic Name: calcium; 1,4-bis(ethenyl)benzene; 4-ethenylbenzenesulfonate Openeye Name: calcium; 1,4-divinylbenzene; 4-vinylbenzenesulfonate CAS Name: calcium; 1,4-bis(ethenyl)benzene; 4-ethenylbenzenesulfonate IUPAC Name: calcium; 1,4-bis(ethenyl)benzene; 4-ethenylbenzenesulfonate Traditional Name: calcium; 1,4-divinylbenzene; 4-vinylbesylate Formula: C26H24CaO6S2 MolecularWeight: 536.67316

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)C=C.C=CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C=CC1=CC=C(C=C1)C=C.C=CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C10H10.2C8H8O3S.Ca/c1-3-9-5-7-10(4-2)8-6-9;2*1-2-7-3-5-8(6-4-7)12(9,10)11;/h3-8H,1-2H2;2*2-6H,1H2,(H,9,10,11);/q;;;+2/p-2