[(1E,3E,6E)-8-(3-methyloxiran-2-yl)octa-1,3,6-trienyl] 4-methylbenzenesulfonate

Systemtic Name: [(1E,3E,6E)-8-(3-methyloxiran-2-yl)octa-1,3,6-trienyl] 4-methylbenzenesulfonate Openeye Name: [(1E,3E,6E)-8-(3-methyloxiran-2-yl)octa-1,3,6-trienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1E,3E,6E)-8-(3-methyl-2-oxiranyl)octa-1,3,6-trienyl] ester IUPAC Name: [(1E,3E,6E)-8-(3-methyloxiran-2-yl)octa-1,3,6-trienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1E,3E,6E)-8-(3-methyloxiran-2-yl)octa-1,3,6-trienyl] ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(O1)CC=CCC=CC=COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1C(O1)C/C=C/C/C=C/C=C/OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22O4S/c1-15-10-12-17(13-11-15)23(19,20)21-14-8-6-4-3-5-7-9-18-16(2)22-18/h4-8,10-14,16,18H,3,9H2,1-2H3/b6-4+,7-5+,14-8+