8-oxidanylidenenon-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 8-oxidanylidenenon-2-ynyl 4-methylbenzenesulfonate Openeye Name: 8-oxonon-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-oxonon-2-ynyl ester IUPAC Name: 8-oxonon-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-ketonon-2-ynyl ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCCCCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCCCCC(=O)C

InChI

InChI=1S/C16H20O4S/c1-14-9-11-16(12-10-14)21(18,19)20-13-7-5-3-4-6-8-15(2)17/h9-12H,3-4,6,8,13H2,1-2H3