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

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethanoic acid Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)acetic acid CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)acetic acid IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)acetic acid Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)acetic acid Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S/c1-13(2)5-6-16-11-4-3-9(7-10(11)13)8-12(14)15/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)