(2-methanoyl-3-naphthalen-1-yl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methanoyl-3-naphthalen-1-yl-propyl) 4-methylbenzenesulfonate Openeye Name: [2-formyl-3-(1-naphthyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-formyl-3-(1-naphthalenyl)propyl] ester IUPAC Name: (2-formyl-3-naphthalen-1-ylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-formyl-3-(1-naphthyl)propyl] ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC3=CC=CC=C32)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC3=CC=CC=C32)C=O

InChI

InChI=1S/C21H20O4S/c1-16-9-11-20(12-10-16)26(23,24)25-15-17(14-22)13-19-7-4-6-18-5-2-3-8-21(18)19/h2-12,14,17H,13,15H2,1H3