4-(3-phenylprop-2-ynoxy)butane-1-sulfonate

Systemtic Name: 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate Openeye Name: 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate CAS Name: 4-(3-phenylprop-2-ynoxy)-1-butanesulfonate IUPAC Name: 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate Traditional Name: 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate Formula: C13H15O4S- MolecularWeight: 267.3208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCOCCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CCOCCCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H16O4S/c14-18(15,16)12-5-4-10-17-11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-5,10-12H2,(H,14,15,16)/p-1