4-[(3S,4R)-4-(3-fluoranyl-4-oxidanyl-phenyl)hexan-3-yl]benzene-1,2-diol

Systemtic Name: 4-[(3S,4R)-4-(3-fluoranyl-4-oxidanyl-phenyl)hexan-3-yl]benzene-1,2-diol Openeye Name: 4-[(1S,2R)-1-ethyl-2-(3-fluoro-4-hydroxy-phenyl)butyl]benzene-1,2-diol CAS Name: 4-[(3S,4R)-4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol IUPAC Name: 4-[(3S,4R)-4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol Traditional Name: 4-[(1S,2R)-1-ethyl-2-(3-fluoro-4-hydroxy-phenyl)butyl]pyrocatechol Formula: C18H21FO3 MolecularWeight: 304.355943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)O)O)C(CC)C2=CC(=C(C=C2)O)F

Isomeric SMILES

CC[C@H](C1=CC(=C(C=C1)O)O)[C@@H](CC)C2=CC(=C(C=C2)O)F

InChI

InChI=1S/C18H21FO3/c1-3-13(11-5-7-16(20)15(19)9-11)14(4-2)12-6-8-17(21)18(22)10-12/h5-10,13-14,20-22H,3-4H2,1-2H3/t13-,14+/m0/s1