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

Systemtic Name: 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4,4-dimethylthiochroman-6-yl)-4-oxo-butanoic acid CAS Name: 4-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-oxobutanoic acid IUPAC Name: 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-oxobutanoic acid Traditional Name: 4-(4,4-dimethylthiochroman-6-yl)-4-keto-butyric acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3S/c1-15(2)7-8-19-13-5-3-10(9-11(13)15)12(16)4-6-14(17)18/h3,5,9H,4,6-8H2,1-2H3,(H,17,18)