propyl 3-ethylbenzoate; sulfurochloridic acid

Systemtic Name: propyl 3-ethylbenzoate; sulfurochloridic acid Openeye Name: propyl 3-ethylbenzoate; sulfurochloridic acid CAS Name: 3-ethylbenzoic acid propyl ester; sulfurochloridic acid IUPAC Name: propyl 3-ethylbenzoate; sulfurochloridic acid Traditional Name: 3-ethylbenzoic acid propyl ester; sulfurochloridic acid Formula: C12H17ClO5S MolecularWeight: 308.77838

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)CC.OS(=O)(=O)Cl

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)CC.OS(=O)(=O)Cl

InChI

InChI=1S/C12H16O2.ClHO3S/c1-3-8-14-12(13)11-7-5-6-10(4-2)9-11;1-5(2,3)4/h5-7,9H,3-4,8H2,1-2H3;(H,2,3,4)