4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)butanoic acid

Systemtic Name: 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)butanoic acid Openeye Name: 4-(4,4-dimethylthiochroman-6-yl)butanoic acid CAS Name: 4-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)butanoic acid IUPAC Name: 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)butanoic acid Traditional Name: 4-(4,4-dimethylthiochroman-6-yl)butyric acid Formula: C15H20O2S MolecularWeight: 264.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)CCCC(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)CCCC(=O)O)C

InChI

InChI=1S/C15H20O2S/c1-15(2)8-9-18-13-7-6-11(10-12(13)15)4-3-5-14(16)17/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)