2-[1-(6-fluoranyl-2-oxidanyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[1-(6-fluoranyl-2-oxidanyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[1-(6-fluoro-2-hydroxy-1-isopropyl-tetralin-2-yl)ethyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[1-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[1-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[1-(6-fluoro-2-hydroxy-1-isopropyl-tetralin-2-yl)ethyl]-4-methyl-besylic acid Formula: C22H27FO4S MolecularWeight: 406.510783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C)C2(CCC3=C(C2C(C)C)C=CC(=C3)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C)C2(CCC3=C(C2C(C)C)C=CC(=C3)F)O

InChI

InChI=1S/C22H27FO4S/c1-13(2)21-18-7-6-17(23)12-16(18)9-10-22(21,24)15(4)19-11-14(3)5-8-20(19)28(25,26)27/h5-8,11-13,15,21,24H,9-10H2,1-4H3,(H,25,26,27)