propan-2-yl 3-ethylbenzoate; sulfurochloridic acid

Systemtic Name: propan-2-yl 3-ethylbenzoate; sulfurochloridic acid Openeye Name: isopropyl 3-ethylbenzoate; sulfurochloridic acid CAS Name: 3-ethylbenzoic acid propan-2-yl ester; sulfurochloridic acid IUPAC Name: propan-2-yl 3-ethylbenzoate; sulfurochloridic acid Traditional Name: 3-ethylbenzoic acid isopropyl ester; sulfurochloridic acid Formula: C12H17ClO5S MolecularWeight: 308.77838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)OC(C)C.OS(=O)(=O)Cl

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)OC(C)C.OS(=O)(=O)Cl

InChI

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