4-(4-butan-2-ylphenoxy)butane-1-sulfonate

Systemtic Name: 4-(4-butan-2-ylphenoxy)butane-1-sulfonate Openeye Name: 4-(4-sec-butylphenoxy)butane-1-sulfonate CAS Name: 4-(4-butan-2-ylphenoxy)-1-butanesulfonate IUPAC Name: 4-(4-butan-2-ylphenoxy)butane-1-sulfonate Traditional Name: 4-(4-sec-butylphenoxy)butane-1-sulfonate Formula: C14H21O4S- MolecularWeight: 285.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-]

InChI

InChI=1S/C14H22O4S/c1-3-12(2)13-6-8-14(9-7-13)18-10-4-5-11-19(15,16)17/h6-9,12H,3-5,10-11H2,1-2H3,(H,15,16,17)/p-1