[(3R)-3-oxidanyldodec-4-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-3-oxidanyldodec-4-ynyl] 4-methylbenzenesulfonate Openeye Name: [(3R)-3-hydroxydodec-4-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-3-hydroxydodec-4-ynyl] ester IUPAC Name: [(3R)-3-hydroxydodec-4-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-3-hydroxydodec-4-ynyl] ester Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC(CCOS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCCCC#C[C@@H](CCOS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C19H28O4S/c1-3-4-5-6-7-8-9-10-18(20)15-16-23-24(21,22)19-13-11-17(2)12-14-19/h11-14,18,20H,3-8,15-16H2,1-2H3/t18-/m0/s1