[1-(3-oxidanylidenepropyl)naphthalen-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(3-oxidanylidenepropyl)naphthalen-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(3-oxopropyl)-2-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(3-oxopropyl)-2-naphthalenyl] ester IUPAC Name: [1-(3-oxopropyl)naphthalen-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(3-ketopropyl)-2-naphthyl] ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)CCC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)CCC=O

InChI

InChI=1S/C20H18O4S/c1-15-8-11-17(12-9-15)25(22,23)24-20-13-10-16-5-2-3-6-18(16)19(20)7-4-14-21/h2-3,5-6,8-14H,4,7H2,1H3