(2-propanoylphenyl) 4-ethylbenzenesulfonate

Systemtic Name: (2-propanoylphenyl) 4-ethylbenzenesulfonate Openeye Name: (2-propanoylphenyl) 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid [2-(1-oxopropyl)phenyl] ester IUPAC Name: (2-propanoylphenyl) 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid (2-propionylphenyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)CC

InChI

InChI=1S/C17H18O4S/c1-3-13-9-11-14(12-10-13)22(19,20)21-17-8-6-5-7-15(17)16(18)4-2/h5-12H,3-4H2,1-2H3