sodium 1,5-ditert-butyl-2,3-bis(oxidanyl)-4-sulfonatosulfanyl-benzene

Systemtic Name: sodium 1,5-ditert-butyl-2,3-bis(oxidanyl)-4-sulfonatosulfanyl-benzene Openeye Name: sodium 1,5-ditert-butyl-2,3-dihydroxy-4-sulfonatosulfanyl-benzene CAS Name: sodium 1,5-ditert-butyl-2,3-dihydroxy-4-(sulfonatothio)benzene IUPAC Name: sodium 1,5-ditert-butyl-2,3-dihydroxy-4-sulfonatosulfanylbenzene Traditional Name: sodium 1,5-ditert-butyl-2,3-dihydroxy-4-(sulfonatothio)benzene Formula: C14H21NaO5S2 MolecularWeight: 356.43331

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1O)O)SS(=O)(=O)[O-])C(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1O)O)SS(=O)(=O)[O-])C(C)(C)C.[Na+]

InChI

InChI=1S/C14H22O5S2.Na/c1-13(2,3)8-7-9(14(4,5)6)12(11(16)10(8)15)20-21(17,18)19;/h7,15-16H,1-6H3,(H,17,18,19);/q;+1/p-1