(4-naphthalen-2-yl-3-oxidanyl-4-oxidanylidene-butan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-naphthalen-2-yl-3-oxidanyl-4-oxidanylidene-butan-2-yl) 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-1-methyl-3-(2-naphthyl)-3-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-4-(2-naphthalenyl)-4-oxobutan-2-yl] ester IUPAC Name: (3-hydroxy-4-naphthalen-2-yl-4-oxobutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-keto-1-methyl-3-(2-naphthyl)propyl] ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(=O)C2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(=O)C2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C21H20O5S/c1-14-7-11-19(12-8-14)27(24,25)26-15(2)20(22)21(23)18-10-9-16-5-3-4-6-17(16)13-18/h3-13,15,20,22H,1-2H3