2-(2-butyl-6-fluoranyl-2-oxidanyl-3,4-dihydro-1H-naphthalen-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2-butyl-6-fluoranyl-2-oxidanyl-3,4-dihydro-1H-naphthalen-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2-butyl-6-fluoro-2-hydroxy-tetralin-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2-butyl-6-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-1-yl)ethyl ester IUPAC Name: 2-(2-butyl-6-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-butyl-6-fluoro-2-hydroxy-tetralin-1-yl)ethyl ester Formula: C23H29FO4S MolecularWeight: 420.537363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC2=C(C1CCOS(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)F)O

Isomeric SMILES

CCCCC1(CCC2=C(C1CCOS(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)F)O

InChI

InChI=1S/C23H29FO4S/c1-3-4-13-23(25)14-11-18-16-19(24)7-10-21(18)22(23)12-15-28-29(26,27)20-8-5-17(2)6-9-20/h5-10,16,22,25H,3-4,11-15H2,1-2H3