1-(3,4-dihydro-2H-thiochromen-6-yl)propan-2-ol; octan-1-amine

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-6-yl)propan-2-ol; octan-1-amine Openeye Name: octan-1-amine; 1-thiochroman-6-ylpropan-2-ol CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-2-propanol; 1-octanamine IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-6-yl)propan-2-ol; octan-1-amine Traditional Name: octylamine; 1-thiochroman-6-ylpropan-2-ol Formula: C20H35NOS MolecularWeight: 337.563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.CC(CC1=CC2=C(C=C1)SCCC2)O

Isomeric SMILES

CCCCCCCCN.CC(CC1=CC2=C(C=C1)SCCC2)O

InChI

InChI=1S/C12H16OS.C8H19N/c1-9(13)7-10-4-5-12-11(8-10)3-2-6-14-12;1-2-3-4-5-6-7-8-9/h4-5,8-9,13H,2-3,6-7H2,1H3;2-9H2,1H3