3-octylsulfanyl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol

Systemtic Name: 3-octylsulfanyl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol Openeye Name: 3-octylsulfanyl-6-(2-quinolylmethoxy)chroman-4-ol CAS Name: 3-(octylthio)-6-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 3-octylsulfanyl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol Traditional Name: 3-(octylthio)-6-(2-quinolylmethoxy)chroman-4-ol Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1COC2=C(C1O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCCCCSC1COC2=C(C1O)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H33NO3S/c1-2-3-4-5-6-9-16-32-26-19-31-25-15-14-22(17-23(25)27(26)29)30-18-21-13-12-20-10-7-8-11-24(20)28-21/h7-8,10-15,17,26-27,29H,2-6,9,16,18-19H2,1H3