sodium 4-(phenylsulfonyl)butane-1-sulfonic acid

Systemtic Name: sodium 4-(phenylsulfonyl)butane-1-sulfonic acid Openeye Name: sodium 4-(benzenesulfonyl)butane-1-sulfonic acid CAS Name: sodium 4-(benzenesulfonyl)-1-butanesulfonic acid IUPAC Name: sodium 4-(benzenesulfonyl)butane-1-sulfonic acid Traditional Name: sodium 4-besylbutane-1-sulfonic acid Formula: C10H14NaO5S2+ MolecularWeight: 301.33493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O5S2.Na/c11-16(12,10-6-2-1-3-7-10)8-4-5-9-17(13,14)15;/h1-3,6-7H,4-5,8-9H2,(H,13,14,15);/q;+1