2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenyl-butanal

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenyl-butanal Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)-4-phenyl-butanal CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-phenylbutanal IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenylbutanal Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)-4-phenyl-butyraldehyde Formula: C21H24OS MolecularWeight: 324.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(CCC3=CC=CC=C3)C=O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(CCC3=CC=CC=C3)C=O)C

InChI

InChI=1S/C21H24OS/c1-21(2)12-13-23-20-11-10-17(14-19(20)21)18(15-22)9-8-16-6-4-3-5-7-16/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3