4-phenylbutyl ethanesulfonate

Systemtic Name: 4-phenylbutyl ethanesulfonate Openeye Name: 4-phenylbutyl ethanesulfonate CAS Name: ethanesulfonic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl ethanesulfonate Traditional Name: ethanesulfonic acid 4-phenylbutyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OCCCCC1=CC=CC=C1

Isomeric SMILES

CCS(=O)(=O)OCCCCC1=CC=CC=C1

InChI

InChI=1S/C12H18O3S/c1-2-16(13,14)15-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3