sodium 4-[3,3-bis(ethenylsulfonyl)propyl]benzenesulfonate

Systemtic Name: sodium 4-[3,3-bis(ethenylsulfonyl)propyl]benzenesulfonate Openeye Name: sodium 4-[3,3-bis(vinylsulfonyl)propyl]benzenesulfonate CAS Name: sodium 4-[3,3-bis(ethenylsulfonyl)propyl]benzenesulfonate IUPAC Name: sodium 4-[3,3-bis(ethenylsulfonyl)propyl]benzenesulfonate Traditional Name: sodium 4-[3,3-bis(vinylsulfonyl)propyl]besylate Formula: C13H15NaO7S3 MolecularWeight: 402.43877

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)C(CCC1=CC=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)C=C.[Na+]

Isomeric SMILES

C=CS(=O)(=O)C(CCC1=CC=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)C=C.[Na+]

InChI

InChI=1S/C13H16O7S3.Na/c1-3-21(14,15)13(22(16,17)4-2)10-7-11-5-8-12(9-6-11)23(18,19)20;/h3-6,8-9,13H,1-2,7,10H2,(H,18,19,20);/q;+1/p-1