sodium 4-phenylbutane-1-sulfonate

Systemtic Name: sodium 4-phenylbutane-1-sulfonate Openeye Name: sodium 4-phenylbutane-1-sulfonate CAS Name: sodium 4-phenyl-1-butanesulfonate IUPAC Name: sodium 4-phenylbutane-1-sulfonate Traditional Name: sodium 4-phenylbutane-1-sulfonate Formula: C10H13NaO3S MolecularWeight: 236.26319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S.Na/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9H2,(H,11,12,13);/q;+1/p-1