(E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoranyl-but-2-en-1-ol

Systemtic Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoranyl-but-2-en-1-ol Openeye Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoro-but-2-en-1-ol CAS Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-1-benzopyran-6-yl)-2-fluoro-2-buten-1-ol IUPAC Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxychromen-6-yl)-2-fluorobut-2-en-1-ol Traditional Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoro-but-2-en-1-ol Formula: C24H27FO3 MolecularWeight: 382.467783

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)OC(C=C2C3=CC=CC=C3)(C)C)C(=C(CO)F)C

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)OC(C=C2C3=CC=CC=C3)(C)C)/C(=C(\CO)/F)/C

InChI

InChI=1S/C24H27FO3/c1-5-11-27-22-13-23-19(12-18(22)16(2)21(25)15-26)20(14-24(3,4)28-23)17-9-7-6-8-10-17/h6-10,12-14,26H,5,11,15H2,1-4H3/b21-16+