2-(4-octylphenyl)ethyl methanesulfonate

Systemtic Name: 2-(4-octylphenyl)ethyl methanesulfonate Openeye Name: 2-(4-octylphenyl)ethyl methanesulfonate CAS Name: methanesulfonic acid 2-(4-octylphenyl)ethyl ester IUPAC Name: 2-(4-octylphenyl)ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-(4-octylphenyl)ethyl ester Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCOS(=O)(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCOS(=O)(=O)C

InChI

InChI=1S/C17H28O3S/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15-20-21(2,18)19/h10-13H,3-9,14-15H2,1-2H3