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

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)heptanoic acid Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)heptanoic acid CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)heptanoic acid IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)heptanoic acid Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)enanthic acid Formula: C18H26O2S MolecularWeight: 306.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC2=C(C=C1)SCCC2(C)C)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC2=C(C=C1)SCCC2(C)C)C(=O)O

InChI

InChI=1S/C18H26O2S/c1-4-5-6-7-14(17(19)20)13-8-9-16-15(12-13)18(2,3)10-11-21-16/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,19,20)