[(E)-19-(4-fluoranyl-2-prop-2-enyl-phenyl)-16-oxidanylidene-nonadec-18-enyl] methanesulfonate

Systemtic Name: [(E)-19-(4-fluoranyl-2-prop-2-enyl-phenyl)-16-oxidanylidene-nonadec-18-enyl] methanesulfonate Openeye Name: [(E)-19-(2-allyl-4-fluoro-phenyl)-16-oxo-nonadec-18-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E)-19-(4-fluoro-2-prop-2-enylphenyl)-16-oxononadec-18-enyl] ester IUPAC Name: [(E)-19-(4-fluoro-2-prop-2-enylphenyl)-16-oxononadec-18-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-19-(2-allyl-4-fluoro-phenyl)-16-keto-nonadec-18-enyl] ester Formula: C29H45FO4S MolecularWeight: 508.728603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCCCCCCCCCCC(=O)CC=CC1=C(C=C(C=C1)F)CC=C

Isomeric SMILES

CS(=O)(=O)OCCCCCCCCCCCCCCCC(=O)C/C=C/C1=C(C=C(C=C1)F)CC=C

InChI

InChI=1S/C29H45FO4S/c1-3-18-27-25-28(30)23-22-26(27)19-17-21-29(31)20-15-13-11-9-7-5-4-6-8-10-12-14-16-24-34-35(2,32)33/h3,17,19,22-23,25H,1,4-16,18,20-21,24H2,2H3/b19-17+