3-phenylbutane-1-sulfonate

Systemtic Name: 3-phenylbutane-1-sulfonate Openeye Name: 3-phenylbutane-1-sulfonate CAS Name: 3-phenyl-1-butanesulfonate IUPAC Name: 3-phenylbutane-1-sulfonate Traditional Name: 3-phenylbutane-1-sulfonate Formula: C10H13O3S- MolecularWeight: 213.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)[O-])C1=CC=CC=C1

Isomeric SMILES

CC(CCS(=O)(=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C10H14O3S/c1-9(7-8-14(11,12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,11,12,13)/p-1