sodium 1-butan-2-yl-4-sulfanidylsulfonyl-benzene

Systemtic Name: sodium 1-butan-2-yl-4-sulfanidylsulfonyl-benzene Openeye Name: sodium 1-sec-butyl-4-sulfidosulfonyl-benzene CAS Name: sodium 1-butan-2-yl-4-sulfidosulfonylbenzene IUPAC Name: sodium 1-butan-2-yl-4-sulfidosulfonylbenzene Traditional Name: sodium 1-sec-butyl-4-sulfidosulfonyl-benzene Formula: C10H13NaO2S2 MolecularWeight: 252.32879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O2S2.Na/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;/h4-8H,3H2,1-2H3,(H,11,12,13);/q;+1/p-1