2-heptoxyethyl 4-methylbenzenesulfonate

Systemtic Name: 2-heptoxyethyl 4-methylbenzenesulfonate Openeye Name: 2-heptoxyethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-heptoxyethyl ester IUPAC Name: 2-heptoxyethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-heptoxyethyl ester Formula: C16H26O4S MolecularWeight: 314.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCOCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H26O4S/c1-3-4-5-6-7-12-19-13-14-20-21(17,18)16-10-8-15(2)9-11-16/h8-11H,3-7,12-14H2,1-2H3