[6-methyl-6-oxidanyl-5-(3-oxidanylidenepropyl)-5-phenoxy-cyclohexa-1,3-dien-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-methyl-6-oxidanyl-5-(3-oxidanylidenepropyl)-5-phenoxy-cyclohexa-1,3-dien-1-yl] 4-methylbenzenesulfonate Openeye Name: [6-hydroxy-6-methyl-5-(3-oxopropyl)-5-phenoxy-cyclohexa-1,3-dien-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-hydroxy-6-methyl-5-(3-oxopropyl)-5-phenoxy-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [6-hydroxy-6-methyl-5-(3-oxopropyl)-5-phenoxycyclohexa-1,3-dien-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-hydroxy-5-(3-ketopropyl)-6-methyl-5-phenoxy-cyclohexa-1,3-dien-1-yl] ester Formula: C23H24O6S MolecularWeight: 428.49806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(C2(C)O)(CCC=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(C2(C)O)(CCC=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H24O6S/c1-18-11-13-20(14-12-18)30(26,27)29-21-10-6-15-23(16-7-17-24,22(21,2)25)28-19-8-4-3-5-9-19/h3-6,8-15,17,25H,7,16H2,1-2H3