propylbenzene sulfate

Systemtic Name: propylbenzene sulfate Openeye Name: propylbenzene sulfate CAS Name: propylbenzene sulfate IUPAC Name: propylbenzene sulfate Traditional Name: propylbenzene sulfate Formula: C9H12O4S-2 MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC1=CC=CC=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H12.H2O4S/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)4/h3-5,7-8H,2,6H2,1H3;(H2,1,2,3,4)/p-2