4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[2-(4,4-dimethylthiochroman-6-yl)-2-oxo-ethoxy]-2-hydroxy-benzoic acid CAS Name: 4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-2-oxoethoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxoethoxy]-2-hydroxybenzoic acid Traditional Name: 4-[2-(4,4-dimethylthiochroman-6-yl)-2-keto-ethoxy]-2-hydroxy-benzoic acid Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(=O)COC3=CC(=C(C=C3)C(=O)O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(=O)COC3=CC(=C(C=C3)C(=O)O)O)C

InChI

InChI=1S/C20H20O5S/c1-20(2)7-8-26-18-6-3-12(9-15(18)20)17(22)11-25-13-4-5-14(19(23)24)16(21)10-13/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,23,24)