butane; phenylmethanesulfonate

Systemtic Name: butane; phenylmethanesulfonate Openeye Name: butane; phenylmethanesulfonate CAS Name: butane; phenylmethanesulfonate IUPAC Name: butane; phenylmethanesulfonate Traditional Name: n-butane; phenylmethanesulfonate Formula: C11H17O3S- MolecularWeight: 229.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C(C=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CCCC.C1=CC=C(C=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C4H10/c8-11(9,10)6-7-4-2-1-3-5-7;1-3-4-2/h1-5H,6H2,(H,8,9,10);3-4H2,1-2H3/p-1