2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)ethanethioic S-acid

Systemtic Name: 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)ethanethioic S-acid Openeye Name: 2-(2,2-dimethylchroman-7-yl)ethanethioic S-acid CAS Name: 2-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl)ethanethioic S-acid IUPAC Name: 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)ethanethioic S-acid Traditional Name: 2-(2,2-dimethylchroman-7-yl)thioacetic acid Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=C(C=C2)CC(=O)S)C

Isomeric SMILES

CC1(CCC2=C(O1)C=C(C=C2)CC(=O)S)C

InChI

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